2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

C14H20N2O3 — CID 62820218

IUPAC2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccccc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-10-8-6-7-9-11(10)15-13(19)16(4)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyQKQWVDHPFJFFLE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62820218) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62820218
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccccc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-10-8-6-7-9-11(10)15-13(19)16(4)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyQKQWVDHPFJFFLE-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297764
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62821454
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62820218) is 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is CCc1ccccc1NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is QKQWVDHPFJFFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-10-8-6-7-9-11(10)15-13(19)16(4)14(2,3)12(17)18/h6-9H,5H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).