(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide

C15H20N2O — CID 94209163

IUPAC(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@H](NC[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-15(18)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5-6,9-10,12,14,17H,4,7-8,11H2,(H2,16,18)/t12-,14+/m0/s1
InChIKeyJFKHXPUEBHNNOM-GXTWGEPZSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds5

About (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide

(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide (PubChem CID 94209163) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
PubChem CID94209163
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
SMILESNC(=O)[C@H](NC[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-15(18)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5-6,9-10,12,14,17H,4,7-8,11H2,(H2,16,18)/t12-,14+/m0/s1
InChIKeyJFKHXPUEBHNNOM-GXTWGEPZSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
3-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropanoic acid
CID 64560568
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
CID 97240092
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide (CID 94209163) is (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide is NC(=O)[C@H](NC[C@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide?
The InChIKey is JFKHXPUEBHNNOM-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20N2O/c16-15(18)14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5-6,9-10,12,14,17H,4,7-8,11H2,(H2,16,18)/t12-,14+/m0/s1.
What are the key properties of (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide?
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 94209163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).