methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate

C19H21NO3 — CID 46400629

IUPACmethyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,16-7-5-4-6-8-16)13-20-17(21)14-9-11-15(12-10-14)18(22)23-3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyAEAPUIAGYONTLK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.18
Rot. Bonds5

About methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate

methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate (PubChem CID 46400629) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
PubChem CID46400629
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,16-7-5-4-6-8-16)13-20-17(21)14-9-11-15(12-10-14)18(22)23-3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyAEAPUIAGYONTLK-UHFFFAOYSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(2-methyl-2-phenylpropyl)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

3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
methyl 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]benzoate
CID 60557777
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
methyl 4-[(4-methoxycarbonylphenyl)-phenyl-phosphanylmethyl]benzoate
CID 70401384
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
CID 61139412
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate (CID 46400629) is methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate?
The InChIKey is AEAPUIAGYONTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,16-7-5-4-6-8-16)13-20-17(21)14-9-11-15(12-10-14)18(22)23-3/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate?
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate is sourced from PubChem (CID 46400629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).