methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate

C19H24N2O4 — CID 109144986

IUPACmethyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C19H24N2O4/c1-3-12-20-17(22)13-8-10-14(11-9-13)18(23)21-16-7-5-4-6-15(16)19(24)25-2/h3-7,13-14H,1,8-12H2,2H3,(H,20,22)(H,21,23)
InChIKeyDGVDUMOWNAVTRA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.52
Rot. Bonds6

About methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate

methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate (PubChem CID 109144986) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
PubChem CID109144986
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
SMILESC=CCNC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C19H24N2O4/c1-3-12-20-17(22)13-8-10-14(11-9-13)18(23)21-16-7-5-4-6-15(16)19(24)25-2/h3-7,13-14H,1,8-12H2,2H3,(H,20,22)(H,21,23)
InChIKeyDGVDUMOWNAVTRA-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]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-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
methyl 2-[[cyclopentyl(prop-2-enyl)carbamoyl]amino]benzoate
CID 23991843
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
methyl 2-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919896
1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate (CID 109144986) is methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate is C=CCNC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
The InChIKey is DGVDUMOWNAVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-12-20-17(22)13-8-10-14(11-9-13)18(23)21-16-7-5-4-6-15(16)19(24)25-2/h3-7,13-14H,1,8-12H2,2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate?
methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(prop-2-enylcarbamoyl)cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 109144986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).