2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide

C18H34N2O3 — CID 167423969

IUPAC2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide
SMILESCC(C)NCC(=O)NC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-12(2)19-11-15(22)20-13(16(23)18(6,7)8)9-10-14(21)17(3,4)5/h12-13,19H,9-11H2,1-8H3,(H,20,22)
InChIKeyKTLBHHAVGRRVCC-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.48
Rot. Bonds8

About 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide

2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide (PubChem CID 167423969) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide
PubChem CID167423969
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide
SMILESCC(C)NCC(=O)NC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-12(2)19-11-15(22)20-13(16(23)18(6,7)8)9-10-14(21)17(3,4)5/h12-13,19H,9-11H2,1-8H3,(H,20,22)
InChIKeyKTLBHHAVGRRVCC-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylamino)-N-(2-iodo-2,8,8-trimethyl-3,7-dioxononan-4-yl)-6,6-dimethyl-5-oxoheptanamide
CID 166965355
2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
CID 167423974
N-[6-(tert-butylamino)-1-oxo-1-[(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)amino]hexan-2-yl]-5,5-dimethyl-4-oxohexanamide
CID 171419319
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
4-(tert-butylamino)-N-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-5-oxoheptanamide;2-[2-[2-(tert-butylamino)ethoxy]ethoxy]-N-(2,2,8,8-tetramethyl-7-methylidene-3-oxononan-4-yl)acetamide;4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 164974264
N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475
2,7-dimethyloctan-4-one;3-methyl-N-propan-2-ylbutanamide;2,2,6-trimethylheptan-3-one
CID 158719628
N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide
CID 166704062
2-hydroxy-N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide
CID 162785228

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide (CID 167423969) is 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide is CC(C)NCC(=O)NC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide?
The InChIKey is KTLBHHAVGRRVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-12(2)19-11-15(22)20-13(16(23)18(6,7)8)9-10-14(21)17(3,4)5/h12-13,19H,9-11H2,1-8H3,(H,20,22).
What are the key properties of 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide?
2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide has a molecular weight of 326.48 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide is sourced from PubChem (CID 167423969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).