2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid

C15H22N2O3 — CID 61202717

IUPAC2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCCCC(C)N(C)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-5-11(2)17(3)15(20)16-13-8-6-12(7-9-13)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyQTXXAJWDQOYAOX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.97
Rot. Bonds6

About 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid

2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 61202717) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
PubChem CID61202717
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCCCC(C)N(C)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-5-11(2)17(3)15(20)16-13-8-6-12(7-9-13)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyQTXXAJWDQOYAOX-UHFFFAOYSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238
2-chloro-5-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201406
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-[4-[[butan-2-yl(methyl)carbamoyl]amino]phenyl]butanoic acid
CID 104503290
2-[3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 65349900
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
CID 63066904
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid (CID 61202717) is 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid is CCCC(C)N(C)C(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is QTXXAJWDQOYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-11(2)17(3)15(20)16-13-8-6-12(7-9-13)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid?
2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 61202717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).