3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide

C17H33NO2 — CID 86901393

IUPAC3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-10-18(13-15-9-7-8-11-20-15)16(19)12-14(2)17(3,4)5/h14-15H,6-13H2,1-5H3
InChIKeyHGWQENPAZMDDOE-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.87
Rot. Bonds6

About 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide

3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide (PubChem CID 86901393) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
PubChem CID86901393
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-10-18(13-15-9-7-8-11-20-15)16(19)12-14(2)17(3,4)5/h14-15H,6-13H2,1-5H3
InChIKeyHGWQENPAZMDDOE-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
CID 119777185
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
CID 120792434
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344913
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 61435299
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide (CID 86901393) is 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide is CCCN(CC1CCCCO1)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide?
The InChIKey is HGWQENPAZMDDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-10-18(13-15-9-7-8-11-20-15)16(19)12-14(2)17(3,4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide?
3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide has a molecular weight of 283.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide is sourced from PubChem (CID 86901393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).