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

C12H23NO2 — CID 91915004

IUPACN-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCCCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-12(14)13(2)10-11-6-8-15-9-7-11/h11H,3-10H2,1-2H3
InChIKeyQSULMIXWNJNDJE-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

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

N-methyl-N-(oxan-4-ylmethyl)pentanamide (PubChem CID 91915004) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)pentanamide
PubChem CID91915004
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCCCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-12(14)13(2)10-11-6-8-15-9-7-11/h11H,3-10H2,1-2H3
InChIKeyQSULMIXWNJNDJE-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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)pentanamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)pentanamide (CID 91915004) is N-methyl-N-(oxan-4-ylmethyl)pentanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)pentanamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)pentanamide is CCCCC(=O)N(C)CC1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)pentanamide?
The InChIKey is QSULMIXWNJNDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-12(14)13(2)10-11-6-8-15-9-7-11/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)pentanamide?
N-methyl-N-(oxan-4-ylmethyl)pentanamide has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 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)pentanamide is sourced from PubChem (CID 91915004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).