2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid

C16H21NO4 — CID 76949869

IUPAC2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C=Cc1ccccc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C16H21NO4/c1-5-17(16(2,3)15(19)20)14(18)11-10-12-8-6-7-9-13(12)21-4/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyGYNGBNWOHSVYPE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.42
Rot. Bonds6

About 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid

2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid (PubChem CID 76949869) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
PubChem CID76949869
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C=Cc1ccccc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C16H21NO4/c1-5-17(16(2,3)15(19)20)14(18)11-10-12-8-6-7-9-13(12)21-4/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyGYNGBNWOHSVYPE-UHFFFAOYSA-N
XLogP2.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic 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

tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-[ethyl-[(2-methoxyphenyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820544
3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 60830744
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 78854558
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 60584326
N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 76870370
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid (CID 76949869) is 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid is CCN(C(=O)C=Cc1ccccc1OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid?
The InChIKey is GYNGBNWOHSVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-5-17(16(2,3)15(19)20)14(18)11-10-12-8-6-7-9-13(12)21-4/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 76949869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).