4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid

C15H22N2O4 — CID 115412182

IUPAC4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
SMILESCCC(C)C(C)NC(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-9(2)10(3)16-15(20)17-13-8-11(21-4)6-7-12(13)14(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyZYOWROZSILHQGG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.95
Rot. Bonds6

About 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid

4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid (PubChem CID 115412182) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
PubChem CID115412182
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
SMILESCCC(C)C(C)NC(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-9(2)10(3)16-15(20)17-13-8-11(21-4)6-7-12(13)14(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyZYOWROZSILHQGG-UHFFFAOYSA-N
XLogP2.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860
4,5-difluoro-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 62866986
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
4-methoxy-2-(pentylcarbamoylamino)benzoic acid
CID 115412008
2-(2,2-dimethylbutylcarbamoylamino)-4-methoxybenzoic acid
CID 103463114
4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
CID 81309245
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-5-methoxybenzoic acid
CID 104829305
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
2-(hexan-3-ylcarbamoylamino)-5-methoxybenzoic acid
CID 115412229
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methoxybenzoic acid
CID 115411602
4-methoxy-2-(methylamino)benzoic acid
CID 70479848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid (CID 115412182) is 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid is CCC(C)C(C)NC(=O)Nc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid?
The InChIKey is ZYOWROZSILHQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-9(2)10(3)16-15(20)17-13-8-11(21-4)6-7-12(13)14(18)19/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid?
4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 115412182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).