2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide

C16H23ClN2O — CID 64824765

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C1CCCCC1N
InChIInChI=1S/C16H23ClN2O/c1-2-19(11-12-6-5-7-13(17)10-12)16(20)14-8-3-4-9-15(14)18/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3
InChIKeyKGNRSNXGIVPTRN-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide

2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 64824765) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID64824765
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C1CCCCC1N
InChIInChI=1S/C16H23ClN2O/c1-2-19(11-12-6-5-7-13(17)10-12)16(20)14-8-3-4-9-15(14)18/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3
InChIKeyKGNRSNXGIVPTRN-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
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2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
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2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
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2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
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2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
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CID 61106536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide (CID 64824765) is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide is CCN(Cc1cccc(Cl)c1)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is KGNRSNXGIVPTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-19(11-12-6-5-7-13(17)10-12)16(20)14-8-3-4-9-15(14)18/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 64824765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).