methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate

C16H19NO3 — CID 43423118

IUPACmethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H19NO3/c1-17(15(18)12-8-4-3-5-9-12)14-11-7-6-10-13(14)16(19)20-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKeyXQNOWPHMJIJHPN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.79
Rot. Bonds3

About methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate

methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate (PubChem CID 43423118) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
PubChem CID43423118
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)C1CC=CCC1
InChIInChI=1S/C16H19NO3/c1-17(15(18)12-8-4-3-5-9-12)14-11-7-6-10-13(14)16(19)20-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKeyXQNOWPHMJIJHPN-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate 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

methyl 2-[(1-acetylazetidine-3-carbonyl)-methylamino]benzoate
CID 71785230
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
CID 62700811
methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
CID 43409536
methyl 2-[1,4-dioxane-2-carbonyl(methyl)amino]benzoate
CID 43623087
3-[(2-methoxycarbonylphenyl)-methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3569270
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
CID 117029658
methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
CID 61060789
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
CID 20787944

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate?
The IUPAC name of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate (CID 43423118) is methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate.
What is the SMILES notation for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate?
The canonical SMILES for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)C1CC=CCC1.
What is the InChIKey of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate?
The InChIKey is XQNOWPHMJIJHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(15(18)12-8-4-3-5-9-12)14-11-7-6-10-13(14)16(19)20-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3.
What are the key properties of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate?
methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate has a molecular weight of 273.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate is sourced from PubChem (CID 43423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).