(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide

C17H24N2O — CID 32730507

IUPAC(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-19(2)16(14-9-5-3-6-10-14)13-18-17(20)15-11-7-4-8-12-15/h3-7,9-10,15-16H,8,11-13H2,1-2H3,(H,18,20)/t15-,16+/m0/s1
InChIKeyHNWMEYRANUDLRA-JKSUJKDBSA-N
MW272.39 g/mol
LogP2.76
Rot. Bonds5

About (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 32730507) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
PubChem CID32730507
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-19(2)16(14-9-5-3-6-10-14)13-18-17(20)15-11-7-4-8-12-15/h3-7,9-10,15-16H,8,11-13H2,1-2H3,(H,18,20)/t15-,16+/m0/s1
InChIKeyHNWMEYRANUDLRA-JKSUJKDBSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
(1R)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]cyclohex-3-ene-1-carboxamide
CID 99592280
(1S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019867
(1R)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019865
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide (CID 32730507) is (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide is CN(C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is HNWMEYRANUDLRA-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(2)16(14-9-5-3-6-10-14)13-18-17(20)15-11-7-4-8-12-15/h3-7,9-10,15-16H,8,11-13H2,1-2H3,(H,18,20)/t15-,16+/m0/s1.
What are the key properties of (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 32730507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).