N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide

C13H25NO3 — CID 64555819

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCC1CCCCO1
InChIInChI=1S/C13H25NO3/c1-3-13(2,10-15)14-12(16)8-7-11-6-4-5-9-17-11/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeySJUDXNCEXHMEAZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds6

About N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide

N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 64555819) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID64555819
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCC1CCCCO1
InChIInChI=1S/C13H25NO3/c1-3-13(2,10-15)14-12(16)8-7-11-6-4-5-9-17-11/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeySJUDXNCEXHMEAZ-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
N-(3-carbamothioylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 65155302
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 77057759
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-(1-amino-4,4-dimethylpentan-3-yl)-3-(oxan-2-yl)propanamide
CID 106356996
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
4-ethoxy-4-methyl-1-(oxolan-2-yl)hexan-3-one
CID 116747011

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide (CID 64555819) is N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide is CCC(C)(CO)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is SJUDXNCEXHMEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-13(2,10-15)14-12(16)8-7-11-6-4-5-9-17-11/h11,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 64555819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).