(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

C14H18N2O3 — CID 78857373

IUPAC(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NC(C)CO)cc1
InChIInChI=1S/C14H18N2O3/c1-10(9-17)15-14(19)8-5-12-3-6-13(7-4-12)16-11(2)18/h3-8,10,17H,9H2,1-2H3,(H,15,19)(H,16,18)/b8-5+
InChIKeyOWJCPNVIHHUWGZ-VMPITWQZSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (PubChem CID 78857373) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
PubChem CID78857373
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NC(C)CO)cc1
InChIInChI=1S/C14H18N2O3/c1-10(9-17)15-14(19)8-5-12-3-6-13(7-4-12)16-11(2)18/h3-8,10,17H,9H2,1-2H3,(H,15,19)(H,16,18)/b8-5+
InChIKeyOWJCPNVIHHUWGZ-VMPITWQZSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
3-(1,3-benzodioxol-5-yl)-N-[(2S)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79023666
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 84590042
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (CID 78857373) is (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)NC(C)CO)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The InChIKey is OWJCPNVIHHUWGZ-VMPITWQZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(9-17)15-14(19)8-5-12-3-6-13(7-4-12)16-11(2)18/h3-8,10,17H,9H2,1-2H3,(H,15,19)(H,16,18)/b8-5+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 78857373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).