(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid

C15H20N2O3 — CID 103240394

IUPAC(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
SMILESCC(=O)Nc1cccc(C(C)NC/C=C(/C)C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(15(19)20)7-8-16-11(2)13-5-4-6-14(9-13)17-12(3)18/h4-7,9,11,16H,8H2,1-3H3,(H,17,18)(H,19,20)/b10-7-
InChIKeyRYUNBXNVKMHWEW-YFHOEESVSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds6

About (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid

(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid (PubChem CID 103240394) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
PubChem CID103240394
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
SMILESCC(=O)Nc1cccc(C(C)NC/C=C(/C)C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(15(19)20)7-8-16-11(2)13-5-4-6-14(9-13)17-12(3)18/h4-7,9,11,16H,8H2,1-3H3,(H,17,18)(H,19,20)/b10-7-
InChIKeyRYUNBXNVKMHWEW-YFHOEESVSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic 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-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
(Z)-4-[1-(4-fluorophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103244269
(Z)-4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-methylbut-2-enoic acid
CID 103257177
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
CID 86779553
N-[1-(3-acetamidophenyl)ethyl]but-2-enamide
CID 113221646
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid (CID 103240394) is (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid is CC(=O)Nc1cccc(C(C)NC/C=C(/C)C(=O)O)c1.
What is the InChIKey of (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid?
The InChIKey is RYUNBXNVKMHWEW-YFHOEESVSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(15(19)20)7-8-16-11(2)13-5-4-6-14(9-13)17-12(3)18/h4-7,9,11,16H,8H2,1-3H3,(H,17,18)(H,19,20)/b10-7-.
What are the key properties of (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid?
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103240394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).