ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate

C19H27NO4 — CID 47071387

IUPACethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)CCCOc2cccc(C)c2)CCCC1
InChIInChI=1S/C19H27NO4/c1-3-23-18(22)19(11-4-5-12-19)20-17(21)10-7-13-24-16-9-6-8-15(2)14-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,20,21)
InChIKeyAISUTEKDOWPUGX-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.15
Rot. Bonds8

About ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate

ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate (PubChem CID 47071387) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate
PubChem CID47071387
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)CCCOc2cccc(C)c2)CCCC1
InChIInChI=1S/C19H27NO4/c1-3-23-18(22)19(11-4-5-12-19)20-17(21)10-7-13-24-16-9-6-8-15(2)14-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,20,21)
InChIKeyAISUTEKDOWPUGX-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate 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

1-[4-(3-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119113838
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
ethyl 1-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 55767529
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate (CID 47071387) is ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate is CCOC(=O)C1(NC(=O)CCCOc2cccc(C)c2)CCCC1.
What is the InChIKey of ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate?
The InChIKey is AISUTEKDOWPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-23-18(22)19(11-4-5-12-19)20-17(21)10-7-13-24-16-9-6-8-15(2)14-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate?
ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(3-methylphenoxy)butanoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 47071387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).