2,2,4-trimethyl-N-(oxan-4-yl)pentanamide

C13H25NO2 — CID 177141406

IUPAC2,2,4-trimethyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)CC(C)(C)C(=O)NC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(15)14-11-5-7-16-8-6-11/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyIGIXSVKNNYLQMX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide

2,2,4-trimethyl-N-(oxan-4-yl)pentanamide (PubChem CID 177141406) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(oxan-4-yl)pentanamide
PubChem CID177141406
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2,4-trimethyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)CC(C)(C)C(=O)NC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(15)14-11-5-7-16-8-6-11/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyIGIXSVKNNYLQMX-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
CID 126795366
3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
N-[(3S,4S)-3-methyloxan-4-yl]acetamide
CID 162401416
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
CID 71986117
(3R)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586054
(3R)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586055
(3S)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586056
(3S)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586057
2-fluoro-2-methyl-N-(3-methyloxan-4-yl)propanamide
CID 130173721
N-(1-fluoropropan-2-yl)oxane-3-carboxamide
CID 130875159

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide?
The IUPAC name of 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide (CID 177141406) is 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide?
The canonical SMILES for 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide is CC(C)CC(C)(C)C(=O)NC1CCOCC1.
What is the InChIKey of 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide?
The InChIKey is IGIXSVKNNYLQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(15)14-11-5-7-16-8-6-11/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide?
2,2,4-trimethyl-N-(oxan-4-yl)pentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(oxan-4-yl)pentanamide is sourced from PubChem (CID 177141406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).