methyl 4-[(3-ethylphenyl)carbamoyl]benzoate

C17H17NO3 — CID 7935129

IUPACmethyl 4-[(3-ethylphenyl)carbamoyl]benzoate
SMILESCCc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C17H17NO3/c1-3-12-5-4-6-15(11-12)18-16(19)13-7-9-14(10-8-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeySOKGACHJCVJBLD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds4

About methyl 4-[(3-ethylphenyl)carbamoyl]benzoate

methyl 4-[(3-ethylphenyl)carbamoyl]benzoate (PubChem CID 7935129) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 4-[(3-ethylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-ethylphenyl)carbamoyl]benzoate
PubChem CID7935129
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 4-[(3-ethylphenyl)carbamoyl]benzoate
SMILESCCc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C17H17NO3/c1-3-12-5-4-6-15(11-12)18-16(19)13-7-9-14(10-8-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeySOKGACHJCVJBLD-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(3-ethylphenyl)carbamoyl]benzoate (CID 7935129) is methyl 4-[(3-ethylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-ethylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-ethylphenyl)carbamoyl]benzoate is CCc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[(3-ethylphenyl)carbamoyl]benzoate?
The InChIKey is SOKGACHJCVJBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-12-5-4-6-15(11-12)18-16(19)13-7-9-14(10-8-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(3-ethylphenyl)carbamoyl]benzoate?
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 7935129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).