4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid

C19H18N2O4 — CID 139632495

IUPAC4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18N2O4/c22-18(23)6-3-11-25-17-5-2-1-4-16(17)21-19(24)14-7-8-15-13(12-14)9-10-20-15/h1-2,4-5,7-10,12,20H,3,6,11H2,(H,21,24)(H,22,23)
InChIKeyCIPWLIKYUHNTBC-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.66
Rot. Bonds7

About 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid

4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid (PubChem CID 139632495) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
PubChem CID139632495
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H18N2O4/c22-18(23)6-3-11-25-17-5-2-1-4-16(17)21-19(24)14-7-8-15-13(12-14)9-10-20-15/h1-2,4-5,7-10,12,20H,3,6,11H2,(H,21,24)(H,22,23)
InChIKeyCIPWLIKYUHNTBC-UHFFFAOYSA-N
XLogP3.66
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic 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-(2-cyanophenyl)-1H-indole-5-carboxamide
CID 63770547
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate
CID 139715528
N-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide
CID 63748080
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
4-[2-[(3-chloro-4-oct-1-enoxybenzoyl)amino]phenoxy]butanoic acid
CID 67788758
4-(5-amino-2-benzamidophenoxy)butanoic acid
CID 59419070
1-[2-[2-(3-carboxypropoxy)anilino]-2-oxoethyl]indole-5-carboxylic acid
CID 139670856
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-[2-[[4-[[4-(2-methylpropyl)phenyl]methoxy]benzoyl]amino]phenoxy]butanoic acid
CID 14620450

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid?
The IUPAC name of 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid (CID 139632495) is 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid.
What is the SMILES notation for 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid?
The canonical SMILES for 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid is O=C(O)CCCOc1ccccc1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid?
The InChIKey is CIPWLIKYUHNTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(23)6-3-11-25-17-5-2-1-4-16(17)21-19(24)14-7-8-15-13(12-14)9-10-20-15/h1-2,4-5,7-10,12,20H,3,6,11H2,(H,21,24)(H,22,23).
What are the key properties of 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid?
4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid has a molecular weight of 338.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid is sourced from PubChem (CID 139632495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).