N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide

C22H27NO4 — CID 31871009

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C22H27NO4/c1-25-20-14-13-17(16-21(20)27-19-10-5-6-11-19)23-22(24)12-7-15-26-18-8-3-2-4-9-18/h2-4,8-9,13-14,16,19H,5-7,10-12,15H2,1H3,(H,23,24)
InChIKeyFDACUYDHRQEGLA-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.81
Rot. Bonds9

About N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide (PubChem CID 31871009) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
PubChem CID31871009
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C22H27NO4/c1-25-20-14-13-17(16-21(20)27-19-10-5-6-11-19)23-22(24)12-7-15-26-18-8-3-2-4-9-18/h2-4,8-9,13-14,16,19H,5-7,10-12,15H2,1H3,(H,23,24)
InChIKeyFDACUYDHRQEGLA-UHFFFAOYSA-N
XLogP4.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide 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

N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55822339
N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 110194127

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide (CID 31871009) is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide is COc1ccc(NC(=O)CCCOc2ccccc2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide?
The InChIKey is FDACUYDHRQEGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-20-14-13-17(16-21(20)27-19-10-5-6-11-19)23-22(24)12-7-15-26-18-8-3-2-4-9-18/h2-4,8-9,13-14,16,19H,5-7,10-12,15H2,1H3,(H,23,24).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide has a molecular weight of 369.46 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 31871009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).