N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C31H66N4O4 — CID 161032007

IUPACN-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)CCC(=O)NC(C)(C)C.CC(C)(C)CNC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO.C10H22N2O.C10H21NO2/c1-10(2,3)8-7-9(13)12-11(4,5)6;1-9(2,3)7-11-8(13)12-10(4,5)6;1-9(2,3)11-8(12)7-13-10(4,5)6/h7-8H2,1-6H3,(H,12,13);7H2,1-6H3,(H2,11,12,13);7H2,1-6H3,(H,11,12)
InChIKeyTZSYKBWEWOHZRF-UHFFFAOYSA-N
MW558.89 g/mol
LogP6.57
Rot. Bonds5

About N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 161032007) has the molecular formula C31H66N4O4 and a molecular weight of 558.89 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID161032007
Molecular FormulaC31H66N4O4
Molecular Weight558.89 g/mol
Exact Mass558.51
IUPAC NameN-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)CCC(=O)NC(C)(C)C.CC(C)(C)CNC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H23NO.C10H22N2O.C10H21NO2/c1-10(2,3)8-7-9(13)12-11(4,5)6;1-9(2,3)7-11-8(13)12-10(4,5)6;1-9(2,3)11-8(12)7-13-10(4,5)6/h7-8H2,1-6H3,(H,12,13);7H2,1-6H3,(H2,11,12,13);7H2,1-6H3,(H,11,12)
InChIKeyTZSYKBWEWOHZRF-UHFFFAOYSA-N
XLogP6.57
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
CID 159685378
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
N,N'-ditert-butylhexanediamide
CID 3593481
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158
1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 65113623
N-[2-(dimethylamino)-2-methylpropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604358
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(1-amino-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106164834
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 161032007) is N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)CCC(=O)NC(C)(C)C.CC(C)(C)CNC(=O)NC(C)(C)C.CC(C)(C)NC(=O)COC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is TZSYKBWEWOHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C10H22N2O.C10H21NO2/c1-10(2,3)8-7-9(13)12-11(4,5)6;1-9(2,3)7-11-8(13)12-10(4,5)6;1-9(2,3)11-8(12)7-13-10(4,5)6/h7-8H2,1-6H3,(H,12,13);7H2,1-6H3,(H2,11,12,13);7H2,1-6H3,(H,11,12).
What are the key properties of N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 558.89 g/mol, XLogP of 6.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 161032007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).