N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide

C14H25NO3 — CID 64991618

IUPACN-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(C)C(=O)CNC(=O)CCC1CCCCO1
InChIInChI=1S/C14H25NO3/c1-14(2,3)12(16)10-15-13(17)8-7-11-6-4-5-9-18-11/h11H,4-10H2,1-3H3,(H,15,17)
InChIKeyJRNDMCJGAFEDCS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.07
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide

N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide (PubChem CID 64991618) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
PubChem CID64991618
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
SMILESCC(C)(C)C(=O)CNC(=O)CCC1CCCCO1
InChIInChI=1S/C14H25NO3/c1-14(2,3)12(16)10-15-13(17)8-7-11-6-4-5-9-18-11/h11H,4-10H2,1-3H3,(H,15,17)
InChIKeyJRNDMCJGAFEDCS-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 64555819
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
N-(2-hydroxy-2-methylpentyl)-3-(oxolan-2-yl)propanamide
CID 113246007
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide (CID 64991618) is N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide is CC(C)(C)C(=O)CNC(=O)CCC1CCCCO1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide?
The InChIKey is JRNDMCJGAFEDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)12(16)10-15-13(17)8-7-11-6-4-5-9-18-11/h11H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide?
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 64991618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).