N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide

C23H28N2O5 — CID 17222449

IUPACN-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-28-14-3-13-24-22(26)17-5-9-19(10-6-17)25-23(27)18-7-11-20(12-8-18)30-16-21-4-2-15-29-21/h5-12,21H,2-4,13-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyOZCPTYABAHVNLZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.26
Rot. Bonds10

About N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide

N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide (PubChem CID 17222449) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
PubChem CID17222449
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-28-14-3-13-24-22(26)17-5-9-19(10-6-17)25-23(27)18-7-11-20(12-8-18)30-16-21-4-2-15-29-21/h5-12,21H,2-4,13-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyOZCPTYABAHVNLZ-UHFFFAOYSA-N
XLogP3.26
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821463
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide (CID 17222449) is N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
The InChIKey is OZCPTYABAHVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-14-3-13-24-22(26)17-5-9-19(10-6-17)25-23(27)18-7-11-20(12-8-18)30-16-21-4-2-15-29-21/h5-12,21H,2-4,13-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17222449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).