2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid

C13H18N2O3 — CID 114199769

IUPAC2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
SMILESCN(C)CCNC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-15(2)8-7-14-13(18)11-6-4-3-5-10(11)9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZUDHMTXOWFXCBR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.61
Rot. Bonds6

About 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid

2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid (PubChem CID 114199769) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
PubChem CID114199769
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
SMILESCN(C)CCNC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-15(2)8-7-14-13(18)11-6-4-3-5-10(11)9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZUDHMTXOWFXCBR-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
CID 104548567
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid (CID 114199769) is 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid is CN(C)CCNC(=O)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid?
The InChIKey is ZUDHMTXOWFXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(2)8-7-14-13(18)11-6-4-3-5-10(11)9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid?
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid is sourced from PubChem (CID 114199769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).