12-[(2-methylbenzoyl)amino]dodecanoic acid

C20H31NO3 — CID 10759093

IUPAC12-[(2-methylbenzoyl)amino]dodecanoic acid
SMILESCc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H31NO3/c1-17-13-10-11-14-18(17)20(24)21-16-12-8-6-4-2-3-5-7-9-15-19(22)23/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,21,24)(H,22,23)
InChIKeyOOMLAXYQSIGLSE-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.71
Rot. Bonds13

About 12-[(2-methylbenzoyl)amino]dodecanoic acid

12-[(2-methylbenzoyl)amino]dodecanoic acid (PubChem CID 10759093) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 12-[(2-methylbenzoyl)amino]dodecanoic acid.

Molecular Properties

Compound Name12-[(2-methylbenzoyl)amino]dodecanoic acid
PubChem CID10759093
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name12-[(2-methylbenzoyl)amino]dodecanoic acid
SMILESCc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H31NO3/c1-17-13-10-11-14-18(17)20(24)21-16-12-8-6-4-2-3-5-7-9-15-19(22)23/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,21,24)(H,22,23)
InChIKeyOOMLAXYQSIGLSE-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-methylbenzamide
CID 3017102
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897

Frequently Asked Questions

What is the IUPAC name of 12-[(2-methylbenzoyl)amino]dodecanoic acid?
The IUPAC name of 12-[(2-methylbenzoyl)amino]dodecanoic acid (CID 10759093) is 12-[(2-methylbenzoyl)amino]dodecanoic acid.
What is the SMILES notation for 12-[(2-methylbenzoyl)amino]dodecanoic acid?
The canonical SMILES for 12-[(2-methylbenzoyl)amino]dodecanoic acid is Cc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-[(2-methylbenzoyl)amino]dodecanoic acid?
The InChIKey is OOMLAXYQSIGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-17-13-10-11-14-18(17)20(24)21-16-12-8-6-4-2-3-5-7-9-15-19(22)23/h10-11,13-14H,2-9,12,15-16H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 12-[(2-methylbenzoyl)amino]dodecanoic acid?
12-[(2-methylbenzoyl)amino]dodecanoic acid has a molecular weight of 333.47 g/mol, XLogP of 4.71, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(2-methylbenzoyl)amino]dodecanoic acid is sourced from PubChem (CID 10759093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).