2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide

C24H20N2O3 — CID 55524183

IUPAC2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-29-20-15-13-19(14-16-20)23(27)26-22-12-6-5-11-21(22)24(28)25-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyDJIGYUFJKYEBLC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.73
Rot. Bonds5

About 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide

2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 55524183) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID55524183
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-29-20-15-13-19(14-16-20)23(27)26-22-12-6-5-11-21(22)24(28)25-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,17H2,1H3,(H,25,28)(H,26,27)
InChIKeyDJIGYUFJKYEBLC-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
CID 51332507
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide (CID 55524183) is 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC#Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is DJIGYUFJKYEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-20-15-13-19(14-16-20)23(27)26-22-12-6-5-11-21(22)24(28)25-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 55524183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).