2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide

C19H26N2O3 — CID 19133673

IUPAC2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC=CCC1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C19H26N2O3/c1-4-21(5-2)19(23)17-12-7-6-11-16(17)18(22)20-14-9-8-10-15(13-14)24-3/h6-10,13,16-17H,4-5,11-12H2,1-3H3,(H,20,22)
InChIKeyWQVFIQKYDLSUEH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.08
Rot. Bonds6

About 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide

2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide (PubChem CID 19133673) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide
PubChem CID19133673
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC=CCC1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C19H26N2O3/c1-4-21(5-2)19(23)17-12-7-6-11-16(17)18(22)20-14-9-8-10-15(13-14)24-3/h6-10,13,16-17H,4-5,11-12H2,1-3H3,(H,20,22)
InChIKeyWQVFIQKYDLSUEH-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
(1S,6R)-6-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1306107
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
6-[(3-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 4744744
1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(3-methoxyphenyl)urea
CID 51328316
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide (CID 19133673) is 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide is CCN(CC)C(=O)C1CC=CCC1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is WQVFIQKYDLSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-21(5-2)19(23)17-12-7-6-11-16(17)18(22)20-14-9-8-10-15(13-14)24-3/h6-10,13,16-17H,4-5,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide?
2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(3-methoxyphenyl)cyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 19133673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).