2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid

C15H22N2O4 — CID 106262032

IUPAC2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCCc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-15(2,13(18)19)17-14(20)16-10-9-11-7-5-6-8-12(11)21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyYASSIJHVYLHBOD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid

2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 106262032) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
PubChem CID106262032
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCCc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-15(2,13(18)19)17-14(20)16-10-9-11-7-5-6-8-12(11)21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyYASSIJHVYLHBOD-UHFFFAOYSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)propan-2-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113216281
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
1-tert-butyl-3-[4-(2-methoxyphenyl)butyl]urea
CID 110661390
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79800784
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid (CID 106262032) is 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)NCCc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is YASSIJHVYLHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-15(2,13(18)19)17-14(20)16-10-9-11-7-5-6-8-12(11)21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid?
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 106262032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).