2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid

C18H20N2O3 — CID 123504584

IUPAC2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
SMILESCN(C)CCNC(=O)c1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-20(2)12-11-19-17(21)15-10-6-9-14(16(15)18(22)23)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyBUBCRFFOVOIZDL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid

2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid (PubChem CID 123504584) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
PubChem CID123504584
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
SMILESCN(C)CCNC(=O)c1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-20(2)12-11-19-17(21)15-10-6-9-14(16(15)18(22)23)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyBUBCRFFOVOIZDL-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10690459
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
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N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
3-phenylphthalic acid;dihydrobromide
CID 67683459
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
CID 175433920
2-(2-acetylphenyl)-3-amino-N-[2-(dimethylamino)ethyl]benzamide
CID 70387318
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid (CID 123504584) is 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid is CN(C)CCNC(=O)c1cccc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid?
The InChIKey is BUBCRFFOVOIZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(2)12-11-19-17(21)15-10-6-9-14(16(15)18(22)23)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid?
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid is sourced from PubChem (CID 123504584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).