2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid

C19H21NO3 — CID 119347338

IUPAC2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CCc2ccccc2)CC(=O)O)c1C
InChIInChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)19(23)20(13-18(21)22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,21,22)
InChIKeyHKHDNKOJCXKPLR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid

2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid (PubChem CID 119347338) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid
PubChem CID119347338
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CCc2ccccc2)CC(=O)O)c1C
InChIInChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)19(23)20(13-18(21)22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,21,22)
InChIKeyHKHDNKOJCXKPLR-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
2-[(5-methylsulfanylfuran-2-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347151
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347576
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid (CID 119347338) is 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid is Cc1cccc(C(=O)N(CCc2ccccc2)CC(=O)O)c1C.
What is the InChIKey of 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The InChIKey is HKHDNKOJCXKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-7-6-10-17(15(14)2)19(23)20(13-18(21)22)12-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid?
2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).