N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide

C15H28N2O2 — CID 102779942

IUPACN-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2NCCC2C)CCO1
InChIInChI=1S/C15H28N2O2/c1-4-15(5-2)10-12(7-9-19-15)17-14(18)13-11(3)6-8-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyHVGQGRVQGUHVOW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide

N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779942) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779942
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2NCCC2C)CCO1
InChIInChI=1S/C15H28N2O2/c1-4-15(5-2)10-12(7-9-19-15)17-14(18)13-11(3)6-8-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyHVGQGRVQGUHVOW-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
CID 114424424
(2R)-N-(2,2-diethyloxan-4-yl)pyrrolidine-2-carboxamide
CID 104901402
N-(2,2-diethyloxan-4-yl)-4-ethylpiperidine-2-carboxamide
CID 114429439
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 83035026
3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
CID 102779731
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(3,5-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxamide
CID 102779573
2-amino-N-(2,2-diethyloxan-4-yl)-5-methylcyclohexane-1-carboxamide
CID 83035895
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide
CID 83029363

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide (CID 102779942) is N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide is CCC1(CC)CC(NC(=O)C2NCCC2C)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is HVGQGRVQGUHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-15(5-2)10-12(7-9-19-15)17-14(18)13-11(3)6-8-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide?
N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).