4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide

C19H26N2O2 — CID 86981254

IUPAC4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)19(23)17-12-10-15(11-13-17)14-20-18(22)16-8-6-5-7-9-16/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,20,22)
InChIKeyDTOIINBTAWDMHV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds6

About 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide

4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide (PubChem CID 86981254) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
PubChem CID86981254
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)19(23)17-12-10-15(11-13-17)14-20-18(22)16-8-6-5-7-9-16/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,20,22)
InChIKeyDTOIINBTAWDMHV-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
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

2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949094
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide (CID 86981254) is 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CNC(=O)C2CC=CCC2)cc1.
What is the InChIKey of 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide?
The InChIKey is DTOIINBTAWDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21(4-2)19(23)17-12-10-15(11-13-17)14-20-18(22)16-8-6-5-7-9-16/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,20,22).
What are the key properties of 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide?
4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohex-3-ene-1-carbonylamino)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 86981254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).