N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H26N2O4 — CID 79039871

IUPACN-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H26N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(19)5-7-20-8-6-14/h10,19H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMAGYXFLQDJPTRS-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.19
Rot. Bonds4

About N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 79039871) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID79039871
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H26N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(19)5-7-20-8-6-14/h10,19H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyMAGYXFLQDJPTRS-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
N-butyl-2-[(4-hydroxyoxan-4-yl)methylamino]propanamide
CID 81131394
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 79039871) is N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is MAGYXFLQDJPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(19)5-7-20-8-6-14/h10,19H,5-9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 286.37 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 79039871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).