2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid

C16H22N2O5 — CID 119189296

IUPAC2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)N(CCOC)CC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-4-17(2)15(21)12-6-5-7-13(10-12)16(22)18(8-9-23-3)11-14(19)20/h5-7,10H,4,8-9,11H2,1-3H3,(H,19,20)
InChIKeyCWGLPQAIGSMRNK-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.95
Rot. Bonds8

About 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid

2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189296) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189296
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)N(CCOC)CC(=O)O)c1
InChIInChI=1S/C16H22N2O5/c1-4-17(2)15(21)12-6-5-7-13(10-12)16(22)18(8-9-23-3)11-14(19)20/h5-7,10H,4,8-9,11H2,1-3H3,(H,19,20)
InChIKeyCWGLPQAIGSMRNK-UHFFFAOYSA-N
XLogP0.95
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 54901381
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid (CID 119189296) is 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid is CCN(C)C(=O)c1cccc(C(=O)N(CCOC)CC(=O)O)c1.
What is the InChIKey of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is CWGLPQAIGSMRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-17(2)15(21)12-6-5-7-13(10-12)16(22)18(8-9-23-3)11-14(19)20/h5-7,10H,4,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).