2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide

C25H26N2O3 — CID 54781200

IUPAC2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-3-9-17-30-23-16-8-7-15-22(23)25(29)27-21-14-10-11-19(18-21)24(28)26-20-12-5-4-6-13-20/h4-8,10-16,18H,2-3,9,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyAQNDNAMDNCJDHE-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.76
Rot. Bonds9

About 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide

2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide (PubChem CID 54781200) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
PubChem CID54781200
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-3-9-17-30-23-16-8-7-15-22(23)25(29)27-21-14-10-11-19(18-21)24(28)26-20-12-5-4-6-13-20/h4-8,10-16,18H,2-3,9,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyAQNDNAMDNCJDHE-UHFFFAOYSA-N
XLogP5.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]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-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide
CID 26159806
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide
CID 26159801
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
CID 17197044
2-butoxy-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 26159800
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide (CID 54781200) is 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide is CCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide?
The InChIKey is AQNDNAMDNCJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-3-9-17-30-23-16-8-7-15-22(23)25(29)27-21-14-10-11-19(18-21)24(28)26-20-12-5-4-6-13-20/h4-8,10-16,18H,2-3,9,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide?
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 54781200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).