2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid

C15H23N3O3 — CID 104548567

IUPAC2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
SMILESCN(C)CCNC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-17(2)11-9-16-15(21)18(3)10-8-12-6-4-5-7-13(12)14(19)20/h4-7H,8-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyCGNNUKQSBUQPNK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds7

About 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid

2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid (PubChem CID 104548567) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
PubChem CID104548567
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
SMILESCN(C)CCNC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-17(2)11-9-16-15(21)18(3)10-8-12-6-4-5-7-13(12)14(19)20/h4-7H,8-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyCGNNUKQSBUQPNK-UHFFFAOYSA-N
XLogP1.13
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(3-methylsulfanylpropylcarbamoyl)amino]ethyl]benzoic acid
CID 104548618
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-[2-[[(E)-but-2-enoyl]-methylamino]ethyl]benzoic acid
CID 104546895
2-[2-[but-2-ynoyl(methyl)amino]ethyl]benzoic acid
CID 107986971
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
2-[2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]ethyl]benzoic acid
CID 104548603
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid (CID 104548567) is 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid is CN(C)CCNC(=O)N(C)CCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid?
The InChIKey is CGNNUKQSBUQPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17(2)11-9-16-15(21)18(3)10-8-12-6-4-5-7-13(12)14(19)20/h4-7H,8-11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid?
2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.13, 7 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-methylamino]ethyl]benzoic acid is sourced from PubChem (CID 104548567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).