2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid

C12H15NO4 — CID 61041287

IUPAC2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
SMILESCOCCN(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-13(7-8-17-2)11(14)9-5-3-4-6-10(9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyPCEFGDZIWNQQOG-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid

2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid (PubChem CID 61041287) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
PubChem CID61041287
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
SMILESCOCCN(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-13(7-8-17-2)11(14)9-5-3-4-6-10(9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyPCEFGDZIWNQQOG-UHFFFAOYSA-N
XLogP1.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
N-(2-methoxyethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 63108038
1-methoxypropane;phthalic acid
CID 174535712
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 62661076
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458477
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid (CID 61041287) is 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid is COCCN(C)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid?
The InChIKey is PCEFGDZIWNQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(7-8-17-2)11(14)9-5-3-4-6-10(9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid?
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid is sourced from PubChem (CID 61041287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).