2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid

C19H19NO4 — CID 4768113

IUPAC2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCC(=O)NC(=Cc1ccccc1OCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-13-7-9-15(10-8-13)12-24-18-6-4-3-5-16(18)11-17(19(22)23)20-14(2)21/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKDYDVPOALJIDCN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.14
Rot. Bonds6

About 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid

2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 4768113) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID4768113
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCC(=O)NC(=Cc1ccccc1OCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-13-7-9-15(10-8-13)12-24-18-6-4-3-5-16(18)11-17(19(22)23)20-14(2)21/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKDYDVPOALJIDCN-UHFFFAOYSA-N
XLogP3.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-[2-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid
CID 4768369
(E)-2-acetamido-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209603
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-benzoyl-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 171156894
(E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209607
2-(benzenesulfonyl)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 5043605
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
2-acetamido-3-(3,5-diiodo-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 4772541
4-[[2-(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)phenoxy]methyl]benzoic acid
CID 126051813
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 124652517
(E)-2-acetamido-3-(3-ethyl-5-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 68674933

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid (CID 4768113) is 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid is CC(=O)NC(=Cc1ccccc1OCc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is KDYDVPOALJIDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-7-9-15(10-8-13)12-24-18-6-4-3-5-16(18)11-17(19(22)23)20-14(2)21/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 4768113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).