4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide

C16H23ClN2O — CID 60939297

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C16H23ClN2O/c1-11(12-3-7-14(17)8-4-12)19(2)16(20)13-5-9-15(18)10-6-13/h3-4,7-8,11,13,15H,5-6,9-10,18H2,1-2H3
InChIKeyKELBXMACGYOOMW-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.38
Rot. Bonds3

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 60939297) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
PubChem CID60939297
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C16H23ClN2O/c1-11(12-3-7-14(17)8-4-12)19(2)16(20)13-5-9-15(18)10-6-13/h3-4,7-8,11,13,15H,5-6,9-10,18H2,1-2H3
InChIKeyKELBXMACGYOOMW-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47160080
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210718
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopentanecarboxamide
CID 34737287
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide (CID 60939297) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is KELBXMACGYOOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(12-3-7-14(17)8-4-12)19(2)16(20)13-5-9-15(18)10-6-13/h3-4,7-8,11,13,15H,5-6,9-10,18H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 60939297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).