N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide

C12H20N2O2 — CID 63014533

IUPACN-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)11-5-3-8-16-9-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyHRNDLVDPQJQAPQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.56
Rot. Bonds4

About N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide

N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide (PubChem CID 63014533) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
PubChem CID63014533
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)11-5-3-8-16-9-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyHRNDLVDPQJQAPQ-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
CID 79720856
N-(2-cyanoethyl)-3-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81449650
N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 54996543
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide (CID 63014533) is N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide is CC(C)N(CCC#N)C(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide?
The InChIKey is HRNDLVDPQJQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)14(7-4-6-13)12(15)11-5-3-8-16-9-11/h10-11H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide?
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 63014533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).