2-(nonylcarbamoyl)benzoic acid

C17H25NO3 — CID 177437719

IUPAC2-(nonylcarbamoyl)benzoic acid
SMILESCCCCCCCCCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-6-7-10-13-18-16(19)14-11-8-9-12-15(14)17(20)21/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyIHZYVYILSSFKNH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.87
Rot. Bonds10

About 2-(nonylcarbamoyl)benzoic acid

2-(nonylcarbamoyl)benzoic acid (PubChem CID 177437719) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(nonylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(nonylcarbamoyl)benzoic acid
PubChem CID177437719
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(nonylcarbamoyl)benzoic acid
SMILESCCCCCCCCCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-6-7-10-13-18-16(19)14-11-8-9-12-15(14)17(20)21/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyIHZYVYILSSFKNH-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.87
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

2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
decane;phthalic acid
CID 158763790
2-(pentylcarbamoyl)benzoate
CID 7429981
N-hexyl-2-methylbenzamide
CID 3017102
4,8-bis(dodecylcarbamoyl)naphthalene-1,5-dicarboxylic acid
CID 58489306
2-chloro-N-undecylbenzamide
CID 3373978
5,8-bis(hexylcarbamoyl)naphthalene-1,4-dicarboxylic acid
CID 69296098
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 2-(nonylcarbamoyl)benzoic acid?
The IUPAC name of 2-(nonylcarbamoyl)benzoic acid (CID 177437719) is 2-(nonylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(nonylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(nonylcarbamoyl)benzoic acid is CCCCCCCCCNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(nonylcarbamoyl)benzoic acid?
The InChIKey is IHZYVYILSSFKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-10-13-18-16(19)14-11-8-9-12-15(14)17(20)21/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(nonylcarbamoyl)benzoic acid?
2-(nonylcarbamoyl)benzoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylcarbamoyl)benzoic acid is sourced from PubChem (CID 177437719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).