Skip to content

Capobenic acid

C16H23NO6 — CID 30627

💊View drug profile → capobenic acid

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMPTXLVRHYGBOQY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.09
Rot. Bonds10

About Capobenic acid

Capobenic acid (PubChem CID 30627) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound NameCapobenic acid
PubChem CID30627
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMPTXLVRHYGBOQY-UHFFFAOYSA-N
XLogP2.09
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze Capobenic 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

8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964

Frequently Asked Questions

What is the IUPAC name of Capobenic acid?
The IUPAC name of Capobenic acid (CID 30627) is 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for Capobenic acid?
The canonical SMILES for Capobenic acid is COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC.
What is the InChIKey of Capobenic acid?
The InChIKey is MPTXLVRHYGBOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of Capobenic acid?
Capobenic acid has a molecular weight of 325.36 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Capobenic acid is sourced from PubChem (CID 30627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: C · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.