N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide

C12H23NO3 — CID 103526863

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-10(2)8-11(15)13-12(9-14)4-6-16-7-5-12/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyHDDKKTYAUCHPHK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide (PubChem CID 103526863) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide
PubChem CID103526863
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-10(2)8-11(15)13-12(9-14)4-6-16-7-5-12/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyHDDKKTYAUCHPHK-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 113435072
3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide
CID 114189018
3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 138041219
N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
CID 62517428
N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 89959674
N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954267
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpentanamide
CID 103954342
N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 163698443
N-(4-methyloxan-4-yl)pentanamide;molecular hydrogen
CID 172384100
N-(1-hydroxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 43393242
N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpentanamide
CID 62516886
N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-carboxamide
CID 62516888

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide (CID 103526863) is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide is CCC(C)CC(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide?
The InChIKey is HDDKKTYAUCHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-10(2)8-11(15)13-12(9-14)4-6-16-7-5-12/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpentanamide is sourced from PubChem (CID 103526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).