2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid

C15H20N2O3 — CID 63112409

IUPAC2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)N(C)CC2CC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9-6-10(2)13(12(7-9)14(18)19)16-15(20)17(3)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyWEOAGSNSMYUTJM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.88
Rot. Bonds4

About 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid

2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid (PubChem CID 63112409) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid
PubChem CID63112409
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)N(C)CC2CC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9-6-10(2)13(12(7-9)14(18)19)16-15(20)17(3)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyWEOAGSNSMYUTJM-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 63959930
3,5-dichloro-4-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 82811073
2-[bis(prop-2-enyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112570
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112474
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156897
3-methyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63858814

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid (CID 63112409) is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid is Cc1cc(C)c(NC(=O)N(C)CC2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid?
The InChIKey is WEOAGSNSMYUTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-10(2)13(12(7-9)14(18)19)16-15(20)17(3)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid?
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 63112409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).