N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide

C24H28N2O2 — CID 112991069

IUPACN-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C24H28N2O2/c27-22(25-17-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-10,12-15,23H,1,4-5,11,16-18H2,(H,25,27)(H,26,28)
InChIKeyHWAITDGZYOKLAR-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 112991069) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID112991069
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C24H28N2O2/c27-22(25-17-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-10,12-15,23H,1,4-5,11,16-18H2,(H,25,27)(H,26,28)
InChIKeyHWAITDGZYOKLAR-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.94
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

N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
CID 106175165
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide
CID 40799205
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide (CID 112991069) is N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is HWAITDGZYOKLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22(25-17-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-10,12-15,23H,1,4-5,11,16-18H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 376.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 112991069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).