3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide

C21H26N2O2 — CID 26776933

IUPAC3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
SMILESCCCCCc1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-5-8-17-10-12-19(13-11-17)23-20(24)15-22-21(25)18-9-6-7-16(2)14-18/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPTTVHYRABBOTMJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.10
Rot. Bonds8

About 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide

3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide (PubChem CID 26776933) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
PubChem CID26776933
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
SMILESCCCCCc1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-4-5-8-17-10-12-19(13-11-17)23-20(24)15-22-21(25)18-9-6-7-16(2)14-18/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPTTVHYRABBOTMJ-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide (CID 26776933) is 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide is CCCCCc1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide?
The InChIKey is PTTVHYRABBOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-5-8-17-10-12-19(13-11-17)23-20(24)15-22-21(25)18-9-6-7-16(2)14-18/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide?
3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide is sourced from PubChem (CID 26776933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).