4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide

C24H25N3O3 — CID 10716154

IUPAC4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CC(=O)NOCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-27(2)22-14-10-20(11-15-22)24(29)25-21-12-8-18(9-13-21)16-23(28)26-30-17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIBXRELBKVGMOIW-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.80
Rot. Bonds8

About 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide

4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide (PubChem CID 10716154) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide
PubChem CID10716154
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CC(=O)NOCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-27(2)22-14-10-20(11-15-22)24(29)25-21-12-8-18(9-13-21)16-23(28)26-30-17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIBXRELBKVGMOIW-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
[bis[4-[[4-(dimethylamino)benzoyl]amino]phenyl]methylideneamino] 2-phenylacetate
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4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide (CID 10716154) is 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)NOCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide?
The InChIKey is IBXRELBKVGMOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27(2)22-14-10-20(11-15-22)24(29)25-21-12-8-18(9-13-21)16-23(28)26-30-17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide?
4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 10716154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).