2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide

C15H18N2O2 — CID 62878936

IUPAC2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)C1CCCO1
InChIInChI=1S/C15H18N2O2/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-9H2,1H3,(H,17,18)
InChIKeyCQJVKFMUOHSCRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds4

About 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide

2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide (PubChem CID 62878936) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
PubChem CID62878936
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)C1CCCO1
InChIInChI=1S/C15H18N2O2/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-9H2,1H3,(H,17,18)
InChIKeyCQJVKFMUOHSCRF-UHFFFAOYSA-N
XLogP1.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 62877360
(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 35254900
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51078054
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide (CID 62878936) is 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide is CC(NC(=O)C(C#N)c1ccccc1)C1CCCO1.
What is the InChIKey of 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is CQJVKFMUOHSCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide?
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 62878936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).