N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide

C13H25NO3 — CID 113246007

IUPACN-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCC1CCCO1
InChIInChI=1S/C13H25NO3/c1-3-8-13(2,16)10-14-12(15)7-6-11-5-4-9-17-11/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyZMSPIALJCXPYKJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds7

About N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide

N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide (PubChem CID 113246007) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
PubChem CID113246007
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCC1CCCO1
InChIInChI=1S/C13H25NO3/c1-3-8-13(2,16)10-14-12(15)7-6-11-5-4-9-17-11/h11,16H,3-10H2,1-2H3,(H,14,15)
InChIKeyZMSPIALJCXPYKJ-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,5-dimethylhexyl)-3-(oxolan-2-yl)propanamide
CID 111485200
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide (CID 113246007) is N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide is CCCC(C)(O)CNC(=O)CCC1CCCO1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is ZMSPIALJCXPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-8-13(2,16)10-14-12(15)7-6-11-5-4-9-17-11/h11,16H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide?
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 113246007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).