N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide

C14H27NO3 — CID 113354475

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(O)C(C)(C)NC(=O)CCC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-13(2,14(3,4)17)15-12(16)9-8-11-7-5-6-10-18-11/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyBUJROMSURGSGMD-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.00
Rot. Bonds5

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 113354475) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID113354475
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(O)C(C)(C)NC(=O)CCC1CCCCO1
InChIInChI=1S/C14H27NO3/c1-13(2,14(3,4)17)15-12(16)9-8-11-7-5-6-10-18-11/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyBUJROMSURGSGMD-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 64555819
(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-(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-(3-carbamothioylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 65155302
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-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide (CID 113354475) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide is CC(C)(O)C(C)(C)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is BUJROMSURGSGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,14(3,4)17)15-12(16)9-8-11-7-5-6-10-18-11/h11,17H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 257.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 113354475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).