2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid

C14H20N2O3 — CID 80554758

IUPAC2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCCN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-5-16(4)13(19)15-11-8-6-10(7-9-11)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyRDRLKFRSOFNSEL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 80554758) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID80554758
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCCN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-5-16(4)13(19)15-11-8-6-10(7-9-11)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyRDRLKFRSOFNSEL-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
2-methyl-2-[4-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]phenyl]propanoic acid
CID 115986439
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
CID 121366725
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120528707
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid (CID 80554758) is 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid is CCN(C)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is RDRLKFRSOFNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-16(4)13(19)15-11-8-6-10(7-9-11)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80554758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).