1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid

C21H23NO5 — CID 84559138

IUPAC1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(OCCCC(=O)NC2(C(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-16-9-11-17(12-10-16)27-13-5-8-19(23)22-21(20(24)25)14-18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyAJRDTXCZPXHKRP-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.98
Rot. Bonds9

About 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid

1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84559138) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84559138
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(OCCCC(=O)NC2(C(=O)O)CC2c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-16-9-11-17(12-10-16)27-13-5-8-19(23)22-21(20(24)25)14-18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyAJRDTXCZPXHKRP-UHFFFAOYSA-N
XLogP2.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid 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-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
CID 55350766
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 84559138) is 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid is COc1ccc(OCCCC(=O)NC2(C(=O)O)CC2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is AJRDTXCZPXHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-16-9-11-17(12-10-16)27-13-5-8-19(23)22-21(20(24)25)14-18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)butanoylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84559138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).