N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide

C13H25NO3 — CID 70969174

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCC1(O)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13/h10,16H,5-9H2,1-4H3,(H,14,15)
InChIKeyKGXNEUFRGDAJMZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide

N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide (PubChem CID 70969174) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
PubChem CID70969174
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NCC1(O)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13/h10,16H,5-9H2,1-4H3,(H,14,15)
InChIKeyKGXNEUFRGDAJMZ-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 79039871
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
N-[(4-hydroxyoxan-4-yl)methyl]-2-propan-2-yliminopropanamide
CID 123380964
2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
CID 111486098
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
CID 111486054

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide (CID 70969174) is N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide is CC(C(=O)NCC1(O)CCOCC1)C(C)(C)C.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The InChIKey is KGXNEUFRGDAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13/h10,16H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 70969174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).