N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide

C12H20N2O2 — CID 62491240

IUPACN-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)CC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)9-11-5-3-8-16-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyPJRAXNOASFABPS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds5

About N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide

N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide (PubChem CID 62491240) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
PubChem CID62491240
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)CC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)9-11-5-3-8-16-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyPJRAXNOASFABPS-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629086
N-(2-cyanoethyl)-3-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81449650
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide (CID 62491240) is N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide is CC(C)N(CCC#N)C(=O)CC1CCCO1.
What is the InChIKey of N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide?
The InChIKey is PJRAXNOASFABPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)9-11-5-3-8-16-11/h10-11H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide?
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62491240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).