3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid

C17H17NO4 — CID 53227846

IUPAC3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
SMILESCCNC(=O)c1cccc(-c2cc(OC)cc(C(=O)O)c2)c1
InChIInChI=1S/C17H17NO4/c1-3-18-16(19)12-6-4-5-11(7-12)13-8-14(17(20)21)10-15(9-13)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFBHZNRSVFCFKKT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.81
Rot. Bonds5

About 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid

3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid (PubChem CID 53227846) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
PubChem CID53227846
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
SMILESCCNC(=O)c1cccc(-c2cc(OC)cc(C(=O)O)c2)c1
InChIInChI=1S/C17H17NO4/c1-3-18-16(19)12-6-4-5-11(7-12)13-8-14(17(20)21)10-15(9-13)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFBHZNRSVFCFKKT-UHFFFAOYSA-N
XLogP2.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
methyl 3-methoxy-5-phenylbenzoate
CID 71086676

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid?
The IUPAC name of 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid (CID 53227846) is 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid.
What is the SMILES notation for 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid?
The canonical SMILES for 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid is CCNC(=O)c1cccc(-c2cc(OC)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid?
The InChIKey is FBHZNRSVFCFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-18-16(19)12-6-4-5-11(7-12)13-8-14(17(20)21)10-15(9-13)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid?
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid is sourced from PubChem (CID 53227846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).