5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide

C24H32N2O3 — CID 177024691

IUPAC5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc(NC3CCCC3)cc2C)ccc1C
InChIInChI=1S/C24H32N2O3/c1-17-9-11-21(16-22(17)24(27)25-13-6-14-28-3)29-23-12-10-20(15-18(23)2)26-19-7-4-5-8-19/h9-12,15-16,19,26H,4-8,13-14H2,1-3H3,(H,25,27)
InChIKeyPNQVQCHKUOCSPL-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.22
Rot. Bonds9

About 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide

5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide (PubChem CID 177024691) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide
PubChem CID177024691
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc(NC3CCCC3)cc2C)ccc1C
InChIInChI=1S/C24H32N2O3/c1-17-9-11-21(16-22(17)24(27)25-13-6-14-28-3)29-23-12-10-20(15-18(23)2)26-19-7-4-5-8-19/h9-12,15-16,19,26H,4-8,13-14H2,1-3H3,(H,25,27)
InChIKeyPNQVQCHKUOCSPL-UHFFFAOYSA-N
XLogP5.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide 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

4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
4-[4-[acetyl(cyclopentyl)amino]-2-methylphenoxy]-N-butyl-2-methylbenzamide
CID 177024702
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
CID 177024658
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide?
The IUPAC name of 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide (CID 177024691) is 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide.
What is the SMILES notation for 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide?
The canonical SMILES for 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide is COCCCNC(=O)c1cc(Oc2ccc(NC3CCCC3)cc2C)ccc1C.
What is the InChIKey of 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide?
The InChIKey is PNQVQCHKUOCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-9-11-21(16-22(17)24(27)25-13-6-14-28-3)29-23-12-10-20(15-18(23)2)26-19-7-4-5-8-19/h9-12,15-16,19,26H,4-8,13-14H2,1-3H3,(H,25,27).
What are the key properties of 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide?
5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide is sourced from PubChem (CID 177024691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).