(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide

C15H16N2O3 — CID 170189433

IUPAC(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NOC2CCCCO2)cc1
InChIInChI=1S/C15H16N2O3/c16-11-13-6-4-12(5-7-13)8-9-14(18)17-20-15-3-1-2-10-19-15/h4-9,15H,1-3,10H2,(H,17,18)/b9-8+
InChIKeyQUVAVLJFTSNASP-CMDGGOBGSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds4

About (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide

(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide (PubChem CID 170189433) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
PubChem CID170189433
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NOC2CCCCO2)cc1
InChIInChI=1S/C15H16N2O3/c16-11-13-6-4-12(5-7-13)8-9-14(18)17-20-15-3-1-2-10-19-15/h4-9,15H,1-3,10H2,(H,17,18)/b9-8+
InChIKeyQUVAVLJFTSNASP-CMDGGOBGSA-N
XLogP2.15
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(E)-3-[4-(chloromethyl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 86641368
(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide
CID 155274922
4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
CID 11356947
(E)-3-[4-[[2-(4-cyclopentylphenyl)ethylamino]methyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 176902731
[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 175182544
5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]thiophene-2-carboxylic acid
CID 42626198
5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]thiophene-2-carboxylic acid
CID 74828602
3-[5-[3-[4-(chloromethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 91196490
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide
CID 47090911
oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
CID 77389680
(E)-3-[4-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 58740802

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide (CID 170189433) is (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide is N#Cc1ccc(/C=C/C(=O)NOC2CCCCO2)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide?
The InChIKey is QUVAVLJFTSNASP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-11-13-6-4-12(5-7-13)8-9-14(18)17-20-15-3-1-2-10-19-15/h4-9,15H,1-3,10H2,(H,17,18)/b9-8+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide is sourced from PubChem (CID 170189433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).