5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid

C15H22N2O3 — CID 61201776

IUPAC5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
SMILESCCCC(C)N(C)C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-6-11(3)17(4)15(20)16-13-8-7-10(2)9-12(13)14(18)19/h7-9,11H,5-6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyYGVULSOHCOCDHU-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.35
Rot. Bonds5

About 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid

5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 61201776) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID61201776
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
SMILESCCCC(C)N(C)C(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-6-11(3)17(4)15(20)16-13-8-7-10(2)9-12(13)14(18)19/h7-9,11H,5-6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyYGVULSOHCOCDHU-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61202525
5-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 115986547
2-(dipropylcarbamoylamino)-5-methylbenzoic acid
CID 61183221
2-chloro-5-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201406
5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61159065
2-(hex-1-yn-3-ylamino)-5-methylbenzoic acid
CID 106231039
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
CID 62516224
2-[(2,2-dichloroacetyl)amino]-5-methylbenzoic acid
CID 110465836
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 112662993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid (CID 61201776) is 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid is CCCC(C)N(C)C(=O)Nc1ccc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is YGVULSOHCOCDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-11(3)17(4)15(20)16-13-8-7-10(2)9-12(13)14(18)19/h7-9,11H,5-6H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid?
5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61201776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).