cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride

C17H26Cl2N2O2 — CID 154910645

IUPACcis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](N)C1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-22-10-9-20(12-14-5-2-3-8-16(14)18)17(21)13-6-4-7-15(19)11-13;/h2-3,5,8,13,15H,4,6-7,9-12,19H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyIXDIXBBIDUZVRY-PBCQUBLHSA-N
MW361.31 g/mol
LogP3.25
Rot. Bonds6

About cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride

cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 154910645) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID154910645
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Namecis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](N)C1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-22-10-9-20(12-14-5-2-3-8-16(14)18)17(21)13-6-4-7-15(19)11-13;/h2-3,5,8,13,15H,4,6-7,9-12,19H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyIXDIXBBIDUZVRY-PBCQUBLHSA-N
XLogP3.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-chlorophenyl)methyl-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74244474
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119782938
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 133109702
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
cis-(1R,3S)-3-amino-N-[(2-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 131912242
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
cis-(1S,3R)-3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 56905135
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride (CID 154910645) is cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride is COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](N)C1.Cl.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is IXDIXBBIDUZVRY-PBCQUBLHSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c1-22-10-9-20(12-14-5-2-3-8-16(14)18)17(21)13-6-4-7-15(19)11-13;/h2-3,5,8,13,15H,4,6-7,9-12,19H2,1H3;1H/t13-,15+;/m1./s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154910645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).