N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide

C12H20N2O2 — CID 61381712

IUPACN-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-14(9-10(2)8-13)12(15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3
InChIKeyHOIPLZLVACUDBE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.42
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide

N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide (PubChem CID 61381712) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
PubChem CID61381712
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-3-14(9-10(2)8-13)12(15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3
InChIKeyHOIPLZLVACUDBE-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide (CID 61381712) is N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide is CCN(CC(C)C#N)C(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide?
The InChIKey is HOIPLZLVACUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14(9-10(2)8-13)12(15)11-4-6-16-7-5-11/h10-11H,3-7,9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide?
N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 61381712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).