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

C19H19NO4 — CID 4768066

IUPAC2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCC(=O)NC(=Cc1cccc(OCc2ccccc2C)c1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-13-6-3-4-8-16(13)12-24-17-9-5-7-15(10-17)11-18(19(22)23)20-14(2)21/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDTHQFYZSNUGLJW-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.14
Rot. Bonds6

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

2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 4768066) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID4768066
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCC(=O)NC(=Cc1cccc(OCc2ccccc2C)c1)C(=O)O
InChIInChI=1S/C19H19NO4/c1-13-6-3-4-8-16(13)12-24-17-9-5-7-15(10-17)11-18(19(22)23)20-14(2)21/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDTHQFYZSNUGLJW-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-[3-[(2-iodophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772618
(Z)-2-acetamido-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 54848318
2-cyano-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22682178
2-acetamido-3-[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768073
2-acetamido-3-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768072
(E)-2-acetamido-3-[3-[[2-nitro-4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
CID 6209797
(E)-2-acetamido-3-(3-ethyl-5-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 68674933
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-benzamido-3-[3,5-diiodo-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768768
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
2-benzamido-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772674

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid (CID 4768066) is 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid is CC(=O)NC(=Cc1cccc(OCc2ccccc2C)c1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is DTHQFYZSNUGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-6-3-4-8-16(13)12-24-17-9-5-7-15(10-17)11-18(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-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
2-acetamido-3-[3-[(2-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-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 4768066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).