2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid

C14H19N3O4 — CID 63653190

IUPAC2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
SMILESCCCNC(=O)CNC(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-3-6-15-12(18)8-16-14(21)17-10-5-4-9(2)11(7-10)13(19)20/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyGSCZFLXIUVRYFF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.34
Rot. Bonds6

About 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid

2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid (PubChem CID 63653190) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
PubChem CID63653190
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
SMILESCCCNC(=O)CNC(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-3-6-15-12(18)8-16-14(21)17-10-5-4-9(2)11(7-10)13(19)20/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyGSCZFLXIUVRYFF-UHFFFAOYSA-N
XLogP1.34
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[5-oxo-5-(propylamino)pentanoyl]amino]benzoic acid
CID 119255213
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
CID 43567574
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61399201
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
CID 61340044
5-(2-but-3-enoxyethylcarbamoylamino)-2-methylbenzoic acid
CID 106405052
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
5-[(3-methoxy-2-methylpropyl)carbamoylamino]-2-methylbenzoic acid
CID 63652667
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid?
The IUPAC name of 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid (CID 63653190) is 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid?
The canonical SMILES for 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid is CCCNC(=O)CNC(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid?
The InChIKey is GSCZFLXIUVRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-6-15-12(18)8-16-14(21)17-10-5-4-9(2)11(7-10)13(19)20/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid?
2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 63653190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).