2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C15H18N2O4 — CID 2492539

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H18N2O4/c1-19-14-7-11(8-16)4-5-13(14)21-10-15(18)17-9-12-3-2-6-20-12/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeySRCGMYYUAJTKFZ-LBPRGKRZSA-N
MW290.32 g/mol
LogP1.24
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 2492539) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID2492539
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H18N2O4/c1-19-14-7-11(8-16)4-5-13(14)21-10-15(18)17-9-12-3-2-6-20-12/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeySRCGMYYUAJTKFZ-LBPRGKRZSA-N
XLogP1.24
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 98756181
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102562426
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
(E)-2-cyano-3-[4-[(4-cyanophenyl)methoxy]-3-methoxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 126203400
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
3,4-dimethoxy-N-[[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 5000951
2-(3-chloro-4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 99830322

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 2492539) is 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is SRCGMYYUAJTKFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-14-7-11(8-16)4-5-13(14)21-10-15(18)17-9-12-3-2-6-20-12/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 2492539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).