cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide

C17H24N2O — CID 122566972

IUPACcis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
SMILESCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C17H24N2O/c1-19(12-6-9-14-7-3-2-4-8-14)17(20)15-10-5-11-16(18)13-15/h2-4,6-9,15-16H,5,10-13,18H2,1H3/b9-6+/t15-,16+/m1/s1
InChIKeyAKDSONYFFHQVGC-GRLYAWNKSA-N
MW272.39 g/mol
LogP2.68
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide

cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide (PubChem CID 122566972) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
PubChem CID122566972
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Namecis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
SMILESCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C17H24N2O/c1-19(12-6-9-14-7-3-2-4-8-14)17(20)15-10-5-11-16(18)13-15/h2-4,6-9,15-16H,5,10-13,18H2,1H3/b9-6+/t15-,16+/m1/s1
InChIKeyAKDSONYFFHQVGC-GRLYAWNKSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
cis-(1R,3S)-3-amino-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 124685790
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122559347
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide (CID 122566972) is cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide is CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide?
The InChIKey is AKDSONYFFHQVGC-GRLYAWNKSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(12-6-9-14-7-3-2-4-8-14)17(20)15-10-5-11-16(18)13-15/h2-4,6-9,15-16H,5,10-13,18H2,1H3/b9-6+/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide?
cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 122566972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).