(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide

C18H24N2O2 — CID 94671381

IUPAC(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O2/c1-2-20(14-15-9-5-3-6-10-15)17(21)13-19-18(22)16-11-7-4-8-12-16/h3-7,9-10,16H,2,8,11-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyXTDFEKZBQKXVKH-INIZCTEOSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds6

About (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94671381) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
PubChem CID94671381
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O2/c1-2-20(14-15-9-5-3-6-10-15)17(21)13-19-18(22)16-11-7-4-8-12-16/h3-7,9-10,16H,2,8,11-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyXTDFEKZBQKXVKH-INIZCTEOSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
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

N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119304521
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
CID 86981254
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 94192956
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112992893

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide (CID 94671381) is (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide is CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XTDFEKZBQKXVKH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-20(14-15-9-5-3-6-10-15)17(21)13-19-18(22)16-11-7-4-8-12-16/h3-7,9-10,16H,2,8,11-14H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94671381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).