N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide

C14H26N2O2 — CID 115865884

IUPACN-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)N2CCCC2)CCO1
InChIInChI=1S/C14H26N2O2/c1-3-14(4-2)11-12(7-10-18-14)15-13(17)16-8-5-6-9-16/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyPGQKFVVGFHJHBP-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide

N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 115865884) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID115865884
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)N2CCCC2)CCO1
InChIInChI=1S/C14H26N2O2/c1-3-14(4-2)11-12(7-10-18-14)15-13(17)16-8-5-6-9-16/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyPGQKFVVGFHJHBP-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520
N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 83035026
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
2-[(2,2-diethyloxan-4-yl)amino]-1-morpholin-4-ylethanone
CID 83033676
N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
CID 83028302
(2R)-N-(2,2-diethyloxan-4-yl)pyrrolidine-2-carboxamide
CID 104901402
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide (CID 115865884) is N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide is CCC1(CC)CC(NC(=O)N2CCCC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is PGQKFVVGFHJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-14(4-2)11-12(7-10-18-14)15-13(17)16-8-5-6-9-16/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide?
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115865884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).