N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide

C21H26N2O3 — CID 4016608

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-6-16-7-9-17(10-8-16)21(25)22-15-20(24)23-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRHGJMZMGMJWLJF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide (PubChem CID 4016608) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
PubChem CID4016608
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-6-16-7-9-17(10-8-16)21(25)22-15-20(24)23-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRHGJMZMGMJWLJF-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.80
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

4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 19757563
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776933
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54837977
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide (CID 4016608) is N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)NCC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide?
The InChIKey is RHGJMZMGMJWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-4-5-6-16-7-9-17(10-8-16)21(25)22-15-20(24)23-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide is sourced from PubChem (CID 4016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).