2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid

C14H20N2O4 — CID 64605302

IUPAC2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid
SMILESCOCCC(C)NC(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9-5-4-6-11(13(17)18)12(9)16-14(19)15-10(2)7-8-20-3/h4-6,10H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyPPPUDYOECQGCOF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.24
Rot. Bonds6

About 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid

2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid (PubChem CID 64605302) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid
PubChem CID64605302
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid
SMILESCOCCC(C)NC(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9-5-4-6-11(13(17)18)12(9)16-14(19)15-10(2)7-8-20-3/h4-6,10H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyPPPUDYOECQGCOF-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic 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-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
CID 61197742
3-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62948247
3-methyl-2-(pent-1-yn-3-ylcarbamoylamino)benzoic acid
CID 106232069
2-(4-methoxybutylamino)-3-methylbenzoic acid
CID 107111955
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid?
The IUPAC name of 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid (CID 64605302) is 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid?
The canonical SMILES for 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid is COCCC(C)NC(=O)Nc1c(C)cccc1C(=O)O.
What is the InChIKey of 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid?
The InChIKey is PPPUDYOECQGCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-5-4-6-11(13(17)18)12(9)16-14(19)15-10(2)7-8-20-3/h4-6,10H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid?
2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid is sourced from PubChem (CID 64605302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).