(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

C15H19NO3 — CID 895784

IUPAC(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H19NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)16-11-13-6-4-10-19-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,16,17)/b9-8+/t13-/m0/s1
InChIKeyKZKRBCCHGYASIV-XEHSLEBBSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds5

About (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide (PubChem CID 895784) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
PubChem CID895784
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H19NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)16-11-13-6-4-10-19-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,16,17)/b9-8+/t13-/m0/s1
InChIKeyKZKRBCCHGYASIV-XEHSLEBBSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205611
(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 47136479
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 6223654
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850850
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 4874973
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 2576244
(E)-3-[4-(methoxymethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 110497183
(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 6134033
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide (CID 895784) is (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The InChIKey is KZKRBCCHGYASIV-XEHSLEBBSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)16-11-13-6-4-10-19-13/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,16,17)/b9-8+/t13-/m0/s1.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 895784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).