2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid

C16H24N2O3 — CID 79480744

IUPAC2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCC(C)CN(CC)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-12(3)11-18(5-2)16(21)17-14-8-6-13(7-9-14)10-15(19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFNMITZOALWXAKB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid

2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 79480744) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID79480744
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCC(C)CN(CC)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-12(3)11-18(5-2)16(21)17-14-8-6-13(7-9-14)10-15(19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFNMITZOALWXAKB-UHFFFAOYSA-N
XLogP3.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 79480960
3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62851938
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
2-[4-[[ethyl(2-methylbutyl)amino]methyl]phenyl]acetic acid
CID 105346105
2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 61202717
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid (CID 79480744) is 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid is CCC(C)CN(CC)C(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is FNMITZOALWXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-12(3)11-18(5-2)16(21)17-14-8-6-13(7-9-14)10-15(19)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid?
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 79480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).