N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide

C15H29NO3 — CID 111485200

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCC1CCCO1
InChIInChI=1S/C15H29NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h12-13,18H,4-11H2,1-3H3,(H,16,17)
InChIKeySJJQXVTZMFBXQW-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.25
Rot. Bonds8

About N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide

N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide (PubChem CID 111485200) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
PubChem CID111485200
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCC1CCCO1
InChIInChI=1S/C15H29NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h12-13,18H,4-11H2,1-3H3,(H,16,17)
InChIKeySJJQXVTZMFBXQW-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide (CID 111485200) is N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide is CC(C)CCC(C)(O)CNC(=O)CCC1CCCO1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is SJJQXVTZMFBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)8-9-15(3,18)11-16-14(17)7-6-13-5-4-10-19-13/h12-13,18H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide?
N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 111485200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).