N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide

C25H26N2O3 — CID 4938490

IUPACN-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-17-30-21-15-13-20(14-16-21)24(28)27-23-12-8-7-11-22(23)25(29)26-18(2)19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJLTRQAMQKUPFNP-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.22
Rot. Bonds8

About N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide

N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide (PubChem CID 4938490) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
PubChem CID4938490
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-17-30-21-15-13-20(14-16-21)24(28)27-23-12-8-7-11-22(23)25(29)26-18(2)19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJLTRQAMQKUPFNP-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
2-[(4-methoxybenzoyl)amino]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55655999
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887594
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide (CID 4938490) is N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide?
The InChIKey is JLTRQAMQKUPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-17-30-21-15-13-20(14-16-21)24(28)27-23-12-8-7-11-22(23)25(29)26-18(2)19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide?
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4938490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).