N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide

C24H23N3O4 — CID 56573149

IUPACN-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c25-22(28)14-15-26-24(30)20-8-4-5-9-21(20)27-23(29)18-10-12-19(13-11-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyQLHMOTXKHWRQJG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.12
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide

N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide (PubChem CID 56573149) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
PubChem CID56573149
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c25-22(28)14-15-26-24(30)20-8-4-5-9-21(20)27-23(29)18-10-12-19(13-11-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyQLHMOTXKHWRQJG-UHFFFAOYSA-N
XLogP3.12
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzamide
CID 56573020
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide (CID 56573149) is N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide?
The InChIKey is QLHMOTXKHWRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-22(28)14-15-26-24(30)20-8-4-5-9-21(20)27-23(29)18-10-12-19(13-11-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,25,28)(H,26,30)(H,27,29).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide is sourced from PubChem (CID 56573149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).