2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid

C15H22N2O4 — CID 79815181

IUPAC2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)c1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(6-2,13(18)19)16-14(20)17(3)11-9-7-8-10-12(11)21-4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVHZHAQRFFBACRG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.48
Rot. Bonds6

About 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid

2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 79815181) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID79815181
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)c1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(6-2,13(18)19)16-14(20)17(3)11-9-7-8-10-12(11)21-4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVHZHAQRFFBACRG-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
CID 62002291
(2S)-2-hydroxy-4-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 107839522
2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
CID 62002449
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
CID 135072686
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63114798
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid (CID 79815181) is 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)c1ccccc1OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is VHZHAQRFFBACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-15(6-2,13(18)19)16-14(20)17(3)11-9-7-8-10-12(11)21-4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid?
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 79815181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).