2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide

C16H22N2O — CID 60682672

IUPAC2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2=CCCCC2)c1N
InChIInChI=1S/C16H22N2O/c1-12-6-5-9-14(15(12)17)16(19)18-11-10-13-7-3-2-4-8-13/h5-7,9H,2-4,8,10-11,17H2,1H3,(H,18,19)
InChIKeyNGKJLGLGXUCHJP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.20
Rot. Bonds4

About 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide

2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide (PubChem CID 60682672) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
PubChem CID60682672
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2=CCCCC2)c1N
InChIInChI=1S/C16H22N2O/c1-12-6-5-9-14(15(12)17)16(19)18-11-10-13-7-3-2-4-8-13/h5-7,9H,2-4,8,10-11,17H2,1H3,(H,18,19)
InChIKeyNGKJLGLGXUCHJP-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide (CID 60682672) is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC2=CCCCC2)c1N.
What is the InChIKey of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide?
The InChIKey is NGKJLGLGXUCHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-5-9-14(15(12)17)16(19)18-11-10-13-7-3-2-4-8-13/h5-7,9H,2-4,8,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide?
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 60682672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).