N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide

C168H173N7O20 — CID 157202404

IUPACN-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide
SMILES[2H]C([2H])(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/3C34H35NO4.2C33H34N2O4/c3*36-26-32(37)17-8-3-11-23-39-33-18-10-9-16-31(33)25-35(24-27-12-4-1-5-13-27)34(38)30-21-19-29(20-22-30)28-14-6-2-7-15-28;2*36-25-31(37)14-5-2-8-21-39-32-15-7-6-12-30(32)24-35(23-26-10-3-1-4-11-26)33(38)28-18-16-27(17-19-28)29-13-9-20-34-22-29/h3*1-2,4-7,9-10,12-16,18-22,36H,3,8,11,17,23-26H2;2*1,3-4,6-7,9-13,15-20,22,36H,2,5,8,14,21,23-25H2/i25D2;24D2;24D;24D2;23D
InChIKeyAQYIUAVFDLXOKI-HEHVUUSJSA-N
MW2618.31 g/mol
LogP32.27
Rot. Bonds70

About N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide

N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide (PubChem CID 157202404) has the molecular formula C168H173N7O20 and a molecular weight of 2618.31 g/mol. Its IUPAC name is N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide
PubChem CID157202404
Molecular FormulaC168H173N7O20
Molecular Weight2618.31 g/mol
Exact Mass2616.32
IUPAC NameN-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide
SMILES[2H]C([2H])(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/3C34H35NO4.2C33H34N2O4/c3*36-26-32(37)17-8-3-11-23-39-33-18-10-9-16-31(33)25-35(24-27-12-4-1-5-13-27)34(38)30-21-19-29(20-22-30)28-14-6-2-7-15-28;2*36-25-31(37)14-5-2-8-21-39-32-15-7-6-12-30(32)24-35(23-26-10-3-1-4-11-26)33(38)28-18-16-27(17-19-28)29-13-9-20-34-22-29/h3*1-2,4-7,9-10,12-16,18-22,36H,3,8,11,17,23-26H2;2*1,3-4,6-7,9-13,15-20,22,36H,2,5,8,14,21,23-25H2/i25D2;24D2;24D;24D2;23D
InChIKeyAQYIUAVFDLXOKI-HEHVUUSJSA-N
XLogP32.27
TPSA359.98 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds70
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.31
LogP ≤ 532.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide with MolForge

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Related Compounds

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3-[2-[2-[2-[2-(4-Oxo-2-phenylchromen-3-yl)oxyethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]-2-phenylchromen-4-one
CID 71453581
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584603
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]methanone
CID 117911196
Piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone
CID 156811035
6-[2-({cyclopropyl[4-(Pyridin-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid
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CID 172436965
[4-[[2-(5-Fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
CID 172632477
1,5-Bis[2-(1-isonicotinoyl-3-phenyl-4,5-dihydro-1 h-pyrazol-5-yl)phenoxy]-3-oxapentane
CID 129872099
1,2-Bis[2-(1-isonicotinoyl-3-phenyl-4,5-dihydro-1 h-pyrazol-5-yl)phenoxy]ethane
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide (CID 157202404) is N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide is [2H]C([2H])(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)CO)N(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2ccccc2)cc1.[2H]C(c1ccccc1)N(Cc1ccccc1OCCCCCC(=O)CO)C(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide?
The InChIKey is AQYIUAVFDLXOKI-HEHVUUSJSA-N. The full InChI is InChI=1S/3C34H35NO4.2C33H34N2O4/c3*36-26-32(37)17-8-3-11-23-39-33-18-10-9-16-31(33)25-35(24-27-12-4-1-5-13-27)34(38)30-21-19-29(20-22-30)28-14-6-2-7-15-28;2*36-25-31(37)14-5-2-8-21-39-32-15-7-6-12-30(32)24-35(23-26-10-3-1-4-11-26)33(38)28-18-16-27(17-19-28)29-13-9-20-34-22-29/h3*1-2,4-7,9-10,12-16,18-22,36H,3,8,11,17,23-26H2;2*1,3-4,6-7,9-13,15-20,22,36H,2,5,8,14,21,23-25H2/i25D2;24D2;24D;24D2;23D.
What are the key properties of N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide?
N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide has a molecular weight of 2618.31 g/mol, XLogP of 32.27, 70 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide;N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-pyridin-3-ylbenzamide;N-[dideuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 157202404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).