4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide

C24H32N2O3 — CID 17218814

IUPAC4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-5-6-7-8-18-29-22-15-11-20(12-16-22)24(28)26-21-13-9-19(10-14-21)23(27)25-17-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGLFHHNZARQMLRP-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.43
Rot. Bonds12

About 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide

4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide (PubChem CID 17218814) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
PubChem CID17218814
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-5-6-7-8-18-29-22-15-11-20(12-16-22)24(28)26-21-13-9-19(10-14-21)23(27)25-17-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGLFHHNZARQMLRP-UHFFFAOYSA-N
XLogP5.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-butoxy-N-hexadecylbenzamide
CID 4936106
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690

Frequently Asked Questions

What is the IUPAC name of 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The IUPAC name of 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide (CID 17218814) is 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The canonical SMILES for 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)cc1.
What is the InChIKey of 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The InChIKey is GLFHHNZARQMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-5-6-7-8-18-29-22-15-11-20(12-16-22)24(28)26-21-13-9-19(10-14-21)23(27)25-17-4-2/h9-16H,3-8,17-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 5.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 17218814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).