N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide

C16H22N2O — CID 61377844

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O/c1-17-15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h5-7,9-10,17H,2-4,8,11-12H2,1H3,(H,18,19)
InChIKeyZIKFFKNGEYCLSN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide (PubChem CID 61377844) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
PubChem CID61377844
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H22N2O/c1-17-15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h5-7,9-10,17H,2-4,8,11-12H2,1H3,(H,18,19)
InChIKeyZIKFFKNGEYCLSN-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
2-chloro-N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239537
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 15991965
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide (CID 61377844) is N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide?
The InChIKey is ZIKFFKNGEYCLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h5-7,9-10,17H,2-4,8,11-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide has a molecular weight of 258.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 61377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).