2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid

C17H15NO6 — CID 17359941

IUPAC2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
SMILESCOC(=O)COc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H15NO6/c1-23-15(19)10-24-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-9H,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyCBPLUZATNDJKLT-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.19
Rot. Bonds6

About 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid

2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid (PubChem CID 17359941) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
PubChem CID17359941
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
SMILESCOC(=O)COc1cccc(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H15NO6/c1-23-15(19)10-24-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-9H,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyCBPLUZATNDJKLT-UHFFFAOYSA-N
XLogP2.19
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
CID 3306874
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid (CID 17359941) is 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid is COC(=O)COc1cccc(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid?
The InChIKey is CBPLUZATNDJKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-23-15(19)10-24-12-6-4-5-11(9-12)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-9H,10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid?
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid has a molecular weight of 329.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 17359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).