(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid

C14H17NO4 — CID 54846652

IUPAC(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCC(=O)N/C(=C\c1ccccc1OC(C)C)C(=O)O
InChIInChI=1S/C14H17NO4/c1-9(2)19-13-7-5-4-6-11(13)8-12(14(17)18)15-10(3)16/h4-9H,1-3H3,(H,15,16)(H,17,18)/b12-8-
InChIKeyBWTIQJODDWDQFR-WQLSENKSSA-N
MW263.29 g/mol
LogP2.04
Rot. Bonds5

About (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid

(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid (PubChem CID 54846652) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
PubChem CID54846652
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCC(=O)N/C(=C\c1ccccc1OC(C)C)C(=O)O
InChIInChI=1S/C14H17NO4/c1-9(2)19-13-7-5-4-6-11(13)8-12(14(17)18)15-10(3)16/h4-9H,1-3H3,(H,15,16)(H,17,18)/b12-8-
InChIKeyBWTIQJODDWDQFR-WQLSENKSSA-N
XLogP2.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-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

2-acetamido-3-[2-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid
CID 4768369
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54848084
2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768113
1-(3-bromo-2-methylprop-1-enyl)-2-propan-2-yloxybenzene
CID 79324011
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 82254507
ethyl 3-oxo-2-[(2-propan-2-yloxyphenyl)methylidene]butanoate
CID 70607821
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 102363599
N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 35745930
(E)-2-acetamido-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 96843017
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid (CID 54846652) is (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid is CC(=O)N/C(=C\c1ccccc1OC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid?
The InChIKey is BWTIQJODDWDQFR-WQLSENKSSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)19-13-7-5-4-6-11(13)8-12(14(17)18)15-10(3)16/h4-9H,1-3H3,(H,15,16)(H,17,18)/b12-8-.
What are the key properties of (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid?
(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 54846652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).