N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide

C13H23NO2 — CID 110752398

IUPACN-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C13H23NO2/c1-14(10-11-6-8-16-9-7-11)13(15)12-4-2-3-5-12/h11-12H,2-10H2,1H3
InChIKeyZQFLQDXDUUBFJY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide

N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide (PubChem CID 110752398) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide
PubChem CID110752398
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCC1
InChIInChI=1S/C13H23NO2/c1-14(10-11-6-8-16-9-7-11)13(15)12-4-2-3-5-12/h11-12H,2-10H2,1H3
InChIKeyZQFLQDXDUUBFJY-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide (CID 110752398) is N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide is CN(CC1CCOCC1)C(=O)C1CCCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide?
The InChIKey is ZQFLQDXDUUBFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(10-11-6-8-16-9-7-11)13(15)12-4-2-3-5-12/h11-12H,2-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide?
N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 110752398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).