1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide

C17H26N2O — CID 119327113

IUPAC1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C(C)NC(=O)C2(N)CCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-8-7-9-15(13(12)2)14(3)19-16(20)17(18)10-5-4-6-11-17/h7-9,14H,4-6,10-11,18H2,1-3H3,(H,19,20)
InChIKeyCLGRFSIKAONUIA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.14
Rot. Bonds3

About 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119327113) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID119327113
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C(C)NC(=O)C2(N)CCCCC2)c1C
InChIInChI=1S/C17H26N2O/c1-12-8-7-9-15(13(12)2)14(3)19-16(20)17(18)10-5-4-6-11-17/h7-9,14H,4-6,10-11,18H2,1-3H3,(H,19,20)
InChIKeyCLGRFSIKAONUIA-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
1-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119287417

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide (CID 119327113) is 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1cccc(C(C)NC(=O)C2(N)CCCCC2)c1C.
What is the InChIKey of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CLGRFSIKAONUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-7-9-15(13(12)2)14(3)19-16(20)17(18)10-5-4-6-11-17/h7-9,14H,4-6,10-11,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119327113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).