N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide

C16H31NO3 — CID 177228227

IUPACN-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)CC(C)(C)OCC(C)(C)NC(=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-11(2)13(18)9-16(7,8)20-10-15(5,6)17-14(19)12(3)4/h11-12H,9-10H2,1-8H3,(H,17,19)
InChIKeyTTYWYNLDURFYKO-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.95
Rot. Bonds8

About N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide

N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide (PubChem CID 177228227) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
PubChem CID177228227
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)CC(C)(C)OCC(C)(C)NC(=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-11(2)13(18)9-16(7,8)20-10-15(5,6)17-14(19)12(3)4/h11-12H,9-10H2,1-8H3,(H,17,19)
InChIKeyTTYWYNLDURFYKO-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
5,5-dibromo-2-methylhexan-3-one
CID 88577615
5,5-difluoro-2-methylhexan-3-one
CID 88577617
2,5-dimethyl-5-[3-methyl-3-(2-oxopropoxy)butoxy]hexan-3-one
CID 170001080
N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
CID 139317240
methyl (2R)-3-iodo-2-methyl-2-(2-methylpropanoylamino)propanoate
CID 101206393
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-[1-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]acetamide
CID 153358317
(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 104862136
2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
CID 123819756
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-3-methyl-3-(2-methyl-2-propan-2-yloxypropoxy)butanamide;methanol
CID 171557290
2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
CID 144786289

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide (CID 177228227) is N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide is CC(C)C(=O)CC(C)(C)OCC(C)(C)NC(=O)C(C)C.
What is the InChIKey of N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide?
The InChIKey is TTYWYNLDURFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-11(2)13(18)9-16(7,8)20-10-15(5,6)17-14(19)12(3)4/h11-12H,9-10H2,1-8H3,(H,17,19).
What are the key properties of N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide?
N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide has a molecular weight of 285.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 177228227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).