3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid

C16H22N2O3 — CID 122153095

IUPAC3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
SMILESNCC(NC(=O)c1cccc(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c17-10-14(11-5-2-1-3-6-11)18-15(19)12-7-4-8-13(9-12)16(20)21/h4,7-9,11,14H,1-3,5-6,10,17H2,(H,18,19)(H,20,21)
InChIKeySNZNHSBHEUDTLN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.02
Rot. Bonds5

About 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid

3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid (PubChem CID 122153095) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
PubChem CID122153095
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
SMILESNCC(NC(=O)c1cccc(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c17-10-14(11-5-2-1-3-6-11)18-15(19)12-7-4-8-13(9-12)16(20)21/h4,7-9,11,14H,1-3,5-6,10,17H2,(H,18,19)(H,20,21)
InChIKeySNZNHSBHEUDTLN-UHFFFAOYSA-N
XLogP2.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119591500
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid (CID 122153095) is 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid is NCC(NC(=O)c1cccc(C(=O)O)c1)C1CCCCC1.
What is the InChIKey of 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid?
The InChIKey is SNZNHSBHEUDTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-10-14(11-5-2-1-3-6-11)18-15(19)12-7-4-8-13(9-12)16(20)21/h4,7-9,11,14H,1-3,5-6,10,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid?
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 122153095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).