5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid

C15H23N3O3 — CID 82939834

IUPAC5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)NC(C)CN(C)C)cc(C(=O)O)c1C
InChIInChI=1S/C15H23N3O3/c1-9-6-12(7-13(11(9)3)14(19)20)17-15(21)16-10(2)8-18(4)5/h6-7,10H,8H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyPDIIWRMQACTTDH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds5

About 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid

5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid (PubChem CID 82939834) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid
PubChem CID82939834
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)NC(C)CN(C)C)cc(C(=O)O)c1C
InChIInChI=1S/C15H23N3O3/c1-9-6-12(7-13(11(9)3)14(19)20)17-15(21)16-10(2)8-18(4)5/h6-7,10H,8H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyPDIIWRMQACTTDH-UHFFFAOYSA-N
XLogP2.07
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 63021042
2-chloro-5-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82937671
2,3-dimethyl-5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63023671
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 104829296
2,3-dimethyl-5-(2-methylbutanoylamino)benzoic acid
CID 63020676
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 63022456
5-chloro-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82938792
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-iodobenzoic acid
CID 82938911
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-fluorobenzoic acid
CID 82937403
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039
1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
CID 163286341

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid (CID 82939834) is 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)NC(C)CN(C)C)cc(C(=O)O)c1C.
What is the InChIKey of 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid?
The InChIKey is PDIIWRMQACTTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-6-12(7-13(11(9)3)14(19)20)17-15(21)16-10(2)8-18(4)5/h6-7,10H,8H2,1-5H3,(H,19,20)(H2,16,17,21).
What are the key properties of 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid?
5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 82939834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).