(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

C18H25NO — CID 95220593

IUPAC(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCc1ccccc1)C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H25NO/c1-15(2)19(14-13-16-9-5-3-6-10-16)18(20)17-11-7-4-8-12-17/h3-7,9-10,15,17H,8,11-14H2,1-2H3/t17-/m0/s1
InChIKeyJXGQEMAIIFHHDA-KRWDZBQOSA-N
MW271.40 g/mol
LogP3.82
Rot. Bonds5

About (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 95220593) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID95220593
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCc1ccccc1)C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H25NO/c1-15(2)19(14-13-16-9-5-3-6-10-16)18(20)17-11-7-4-8-12-17/h3-7,9-10,15,17H,8,11-14H2,1-2H3/t17-/m0/s1
InChIKeyJXGQEMAIIFHHDA-KRWDZBQOSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 43573246
N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 91453163
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 47052198
(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 94192956
2,4-dioxo-4-[2-phenylethyl(propan-2-yl)amino]butanoic acid
CID 142214418
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3597779
benzyl 2-cyclohex-3-en-1-yl-2-oxoacetate
CID 67475982
(1R)-cyclohex-3-ene-1-carboxylic acid;cyclohex-3-ene-1-carboxylic acid;(1S)-1-phenylethanamine
CID 162157534
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (CID 95220593) is (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is CC(C)N(CCc1ccccc1)C(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is JXGQEMAIIFHHDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(2)19(14-13-16-9-5-3-6-10-16)18(20)17-11-7-4-8-12-17/h3-7,9-10,15,17H,8,11-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95220593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).