sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone

C16H20NNaO3 — CID 23690649

IUPACsodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone
SMILESCC1=C(C)CC(C(=O)Nc2ccccc2)CC1.O=[C-]O.[Na+]
InChIInChI=1S/C15H19NO.CHO2.Na/c1-11-8-9-13(10-12(11)2)15(17)16-14-6-4-3-5-7-14;2-1-3;/h3-7,13H,8-10H2,1-2H3,(H,16,17);(H,2,3);/q;-1;+1
InChIKeyAXSVSZFFLLPCGQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.38
Rot. Bonds2

About sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone

sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone (PubChem CID 23690649) has the molecular formula C16H20NNaO3 and a molecular weight of 297.33 g/mol. Its IUPAC name is sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone.

Molecular Properties

Compound Namesodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone
PubChem CID23690649
Molecular FormulaC16H20NNaO3
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Namesodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone
SMILESCC1=C(C)CC(C(=O)Nc2ccccc2)CC1.O=[C-]O.[Na+]
InChIInChI=1S/C15H19NO.CHO2.Na/c1-11-8-9-13(10-12(11)2)15(17)16-14-6-4-3-5-7-14;2-1-3;/h3-7,13H,8-10H2,1-2H3,(H,16,17);(H,2,3);/q;-1;+1
InChIKeyAXSVSZFFLLPCGQ-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
4,5-dimethyl-N-phenyl-3,6-dihydro-2H-thiopyran-2-carboxamide
CID 13308369
N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680621
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991

Frequently Asked Questions

What is the IUPAC name of sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone?
The IUPAC name of sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone (CID 23690649) is sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone.
What is the SMILES notation for sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone?
The canonical SMILES for sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone is CC1=C(C)CC(C(=O)Nc2ccccc2)CC1.O=[C-]O.[Na+].
What is the InChIKey of sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone?
The InChIKey is AXSVSZFFLLPCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.CHO2.Na/c1-11-8-9-13(10-12(11)2)15(17)16-14-6-4-3-5-7-14;2-1-3;/h3-7,13H,8-10H2,1-2H3,(H,16,17);(H,2,3);/q;-1;+1.
What are the key properties of sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone?
sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone has a molecular weight of 297.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-dimethyl-N-phenylcyclohex-3-ene-1-carboxamide;hydroxymethanone is sourced from PubChem (CID 23690649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).