3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid

C14H20N2O3 — CID 63112624

IUPAC3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
SMILESCc1cc(C)c(NC(=O)NCC(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-8(2)7-15-14(19)16-12-10(4)5-9(3)6-11(12)13(17)18/h5-6,8H,7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyIVKJKMWPBAYYDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.78
Rot. Bonds4

About 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid

3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid (PubChem CID 63112624) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
PubChem CID63112624
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
SMILESCc1cc(C)c(NC(=O)NCC(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-8(2)7-15-14(19)16-12-10(4)5-9(3)6-11(12)13(17)18/h5-6,8H,7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyIVKJKMWPBAYYDO-UHFFFAOYSA-N
XLogP2.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic 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-amino-3-oxopropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112521
2-(2-bromoprop-2-enylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 113465144
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112474
3,5-dimethyl-2-(pentan-3-ylcarbamoylamino)benzoic acid
CID 63112633
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112385
2-[(2-methoxy-2-methylpropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 104763954
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
2-(1-ethoxypropan-2-ylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 63112547
2-(hex-5-ynylcarbamoylamino)-3,5-dimethylbenzoic acid
CID 106216068
3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687474
3,5-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)benzoic acid
CID 106403141

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid?
The IUPAC name of 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid (CID 63112624) is 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid is Cc1cc(C)c(NC(=O)NCC(C)C)c(C(=O)O)c1.
What is the InChIKey of 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid?
The InChIKey is IVKJKMWPBAYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)7-15-14(19)16-12-10(4)5-9(3)6-11(12)13(17)18/h5-6,8H,7H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid?
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid is sourced from PubChem (CID 63112624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).