methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate

C20H24N2O3 — CID 108785560

IUPACmethyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)OC)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-5-22(6-2)15-11-12-18(14(3)13-15)21-19(23)16-9-7-8-10-17(16)20(24)25-4/h7-13H,5-6H2,1-4H3,(H,21,23)
InChIKeyIICUHMQDVSYXSF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.88
Rot. Bonds6

About methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate

methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate (PubChem CID 108785560) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
PubChem CID108785560
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)OC)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-5-22(6-2)15-11-12-18(14(3)13-15)21-19(23)16-9-7-8-10-17(16)20(24)25-4/h7-13H,5-6H2,1-4H3,(H,21,23)
InChIKeyIICUHMQDVSYXSF-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]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 N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
CID 113208003
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate (CID 108785560) is methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate is CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)OC)c(C)c1.
What is the InChIKey of methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate?
The InChIKey is IICUHMQDVSYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-22(6-2)15-11-12-18(14(3)13-15)21-19(23)16-9-7-8-10-17(16)20(24)25-4/h7-13H,5-6H2,1-4H3,(H,21,23).
What are the key properties of methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate?
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate is sourced from PubChem (CID 108785560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).