methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate

C17H17NO3 — CID 70972222

IUPACmethyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
SMILESCCNC(=O)c1cccc(-c2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C17H17NO3/c1-3-18-16(19)14-8-4-6-12(10-14)13-7-5-9-15(11-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZSXRWLYWFFACRD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.89
Rot. Bonds4

About methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate

methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate (PubChem CID 70972222) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
PubChem CID70972222
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
SMILESCCNC(=O)c1cccc(-c2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C17H17NO3/c1-3-18-16(19)14-8-4-6-12(10-14)13-7-5-9-15(11-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZSXRWLYWFFACRD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N-ethyl-3-hydroxybenzamide
CID 13175248
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
methyl 3-pyridin-4-ylbenzoate
CID 5152687

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate?
The IUPAC name of methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate (CID 70972222) is methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate.
What is the SMILES notation for methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate?
The canonical SMILES for methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate is CCNC(=O)c1cccc(-c2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate?
The InChIKey is ZSXRWLYWFFACRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-18-16(19)14-8-4-6-12(10-14)13-7-5-9-15(11-13)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate?
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate has a molecular weight of 283.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate is sourced from PubChem (CID 70972222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).