11-[(2-methoxybenzoyl)amino]undecanoic acid

C19H29NO4 — CID 20625360

IUPAC11-[(2-methoxybenzoyl)amino]undecanoic acid
SMILESCOc1ccccc1C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H29NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22)
InChIKeyVRSPCTWEFVUZNN-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.02
Rot. Bonds13

About 11-[(2-methoxybenzoyl)amino]undecanoic acid

11-[(2-methoxybenzoyl)amino]undecanoic acid (PubChem CID 20625360) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 11-[(2-methoxybenzoyl)amino]undecanoic acid.

Molecular Properties

Compound Name11-[(2-methoxybenzoyl)amino]undecanoic acid
PubChem CID20625360
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name11-[(2-methoxybenzoyl)amino]undecanoic acid
SMILESCOc1ccccc1C(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H29NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22)
InChIKeyVRSPCTWEFVUZNN-UHFFFAOYSA-N
XLogP4.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2-methoxy-N-tridecylbenzamide
CID 139819873
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
12-[(2-azidooxybenzoyl)amino]dodecanoic acid
CID 70152578
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
CID 141337062
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531

Frequently Asked Questions

What is the IUPAC name of 11-[(2-methoxybenzoyl)amino]undecanoic acid?
The IUPAC name of 11-[(2-methoxybenzoyl)amino]undecanoic acid (CID 20625360) is 11-[(2-methoxybenzoyl)amino]undecanoic acid.
What is the SMILES notation for 11-[(2-methoxybenzoyl)amino]undecanoic acid?
The canonical SMILES for 11-[(2-methoxybenzoyl)amino]undecanoic acid is COc1ccccc1C(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[(2-methoxybenzoyl)amino]undecanoic acid?
The InChIKey is VRSPCTWEFVUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 11-[(2-methoxybenzoyl)amino]undecanoic acid?
11-[(2-methoxybenzoyl)amino]undecanoic acid has a molecular weight of 335.44 g/mol, XLogP of 4.02, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-methoxybenzoyl)amino]undecanoic acid is sourced from PubChem (CID 20625360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).