2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide

C16H22N2O — CID 42931151

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
SMILESNC(=O)C(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-16(19)15(14-9-5-2-6-10-14)18-12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15,18H,1,3-4,8,11-12H2,(H2,17,19)
InChIKeyOHMHMCGCKUSLCZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide

2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide (PubChem CID 42931151) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
PubChem CID42931151
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
SMILESNC(=O)C(NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-16(19)15(14-9-5-2-6-10-14)18-12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15,18H,1,3-4,8,11-12H2,(H2,17,19)
InChIKeyOHMHMCGCKUSLCZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
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

2-[2-(cyclohexen-1-yl)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 84746345
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
CID 63564596
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
2-[2-(cyclohexen-1-yl)ethylamino]-2-(1H-indol-3-yl)acetic acid
CID 84748341
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 103247876
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide (CID 42931151) is 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide is NC(=O)C(NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide?
The InChIKey is OHMHMCGCKUSLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-16(19)15(14-9-5-2-6-10-14)18-12-11-13-7-3-1-4-8-13/h2,5-7,9-10,15,18H,1,3-4,8,11-12H2,(H2,17,19).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide has a molecular weight of 258.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 42931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).