10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid

C20H29NO6 — CID 18796122

IUPAC10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)O
InChIInChI=1S/C20H29NO6/c22-18(12-5-3-1-2-4-6-13-19(23)24)21-16-10-7-8-11-17(16)27-15-9-14-20(25)26/h7-8,10-11H,1-6,9,12-15H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyQRMZJNLAUPOEMX-UHFFFAOYSA-N
MW379.45 g/mol
LogP4.07
Rot. Bonds15

About 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid

10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid (PubChem CID 18796122) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
PubChem CID18796122
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)O
InChIInChI=1S/C20H29NO6/c22-18(12-5-3-1-2-4-6-13-19(23)24)21-16-10-7-8-11-17(16)27-15-9-14-20(25)26/h7-8,10-11H,1-6,9,12-15H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyQRMZJNLAUPOEMX-UHFFFAOYSA-N
XLogP4.07
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic 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

12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364

Frequently Asked Questions

What is the IUPAC name of 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid?
The IUPAC name of 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid (CID 18796122) is 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid?
The canonical SMILES for 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid is O=C(O)CCCCCCCCC(=O)Nc1ccccc1OCCCC(=O)O.
What is the InChIKey of 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid?
The InChIKey is QRMZJNLAUPOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c22-18(12-5-3-1-2-4-6-13-19(23)24)21-16-10-7-8-11-17(16)27-15-9-14-20(25)26/h7-8,10-11H,1-6,9,12-15H2,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid?
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid has a molecular weight of 379.45 g/mol, XLogP of 4.07, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid is sourced from PubChem (CID 18796122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).