N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide

C12H20N2O2 — CID 63014346

IUPACN-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-3-14(8-10(2)7-13)12(15)11-5-4-6-16-9-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyVTDWXNZRPJABSM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.42
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide

N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide (PubChem CID 63014346) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
PubChem CID63014346
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-3-14(8-10(2)7-13)12(15)11-5-4-6-16-9-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyVTDWXNZRPJABSM-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

N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
CID 61381712
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
CID 107491267
3-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042305
3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
CID 63557953
N-(2-cyanopropyl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47071522

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide (CID 63014346) is N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide is CCN(CC(C)C#N)C(=O)C1CCCOC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide?
The InChIKey is VTDWXNZRPJABSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14(8-10(2)7-13)12(15)11-5-4-6-16-9-11/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide?
N-(2-cyanopropyl)-N-ethyloxane-3-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-3-carboxamide is sourced from PubChem (CID 63014346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).