4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide

C26H34N2O3 — CID 177024702

IUPAC4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(Oc2ccc(N(C(C)=O)C3CCCC3)cc2C)cc1C
InChIInChI=1S/C26H34N2O3/c1-5-6-15-27-26(30)24-13-12-23(17-18(24)2)31-25-14-11-22(16-19(25)3)28(20(4)29)21-9-7-8-10-21/h11-14,16-17,21H,5-10,15H2,1-4H3,(H,27,30)
InChIKeyGPWXVXASQATUNQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.92
Rot. Bonds8

About 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide

4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide (PubChem CID 177024702) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide
PubChem CID177024702
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(Oc2ccc(N(C(C)=O)C3CCCC3)cc2C)cc1C
InChIInChI=1S/C26H34N2O3/c1-5-6-15-27-26(30)24-13-12-23(17-18(24)2)31-25-14-11-22(16-19(25)3)28(20(4)29)21-9-7-8-10-21/h11-14,16-17,21H,5-10,15H2,1-4H3,(H,27,30)
InChIKeyGPWXVXASQATUNQ-UHFFFAOYSA-N
XLogP5.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide
CID 177024691
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
CID 177024658
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 90909354
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
2-heptadecoxy-1-N,4-N-di(octacosyl)benzene-1,4-dicarboxamide
CID 101293122
1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293031

Frequently Asked Questions

What is the IUPAC name of 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide?
The IUPAC name of 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide (CID 177024702) is 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide.
What is the SMILES notation for 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide?
The canonical SMILES for 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide is CCCCNC(=O)c1ccc(Oc2ccc(N(C(C)=O)C3CCCC3)cc2C)cc1C.
What is the InChIKey of 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide?
The InChIKey is GPWXVXASQATUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-5-6-15-27-26(30)24-13-12-23(17-18(24)2)31-25-14-11-22(16-19(25)3)28(20(4)29)21-9-7-8-10-21/h11-14,16-17,21H,5-10,15H2,1-4H3,(H,27,30).
What are the key properties of 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide?
4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide is sourced from PubChem (CID 177024702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).