N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide

C19H34N2O4 — CID 126481628

IUPACN-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
SMILESCC(=O)N(C(=O)C(C)(C)CCC(=O)N(C)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2O4/c1-13(22)21(18(5,6)7)16(25)19(8,9)12-11-14(23)20(10)15(24)17(2,3)4/h11-12H2,1-10H3
InChIKeyQVZYHCGBEFKXER-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.00
Rot. Bonds4

About N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide

N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide (PubChem CID 126481628) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide.

Molecular Properties

Compound NameN-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
PubChem CID126481628
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC NameN-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide
SMILESCC(=O)N(C(=O)C(C)(C)CCC(=O)N(C)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2O4/c1-13(22)21(18(5,6)7)16(25)19(8,9)12-11-14(23)20(10)15(24)17(2,3)4/h11-12H2,1-10H3
InChIKeyQVZYHCGBEFKXER-UHFFFAOYSA-N
XLogP3.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[acetyl(dimethylamino)amino]-4-oxobutanoyl]-N,2,2-trimethylpropanamide
CID 163464416
N-acetyl-N-tert-butyl-2-ethyl-2-hydroxybutanamide
CID 145453252
N-acetyl-N-methylbutanamide
CID 142271883
5-[2,2-dimethylpropanoyl(ethyl)amino]-N,N,2,2-tetramethylpentanamide
CID 134575979
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
4,4,5-trimethylhex-5-enoic acid
CID 86130262
N-acetyl-N-(3-methylhexan-3-yl)acetamide
CID 89349857
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
N-acetyl-N-[3-(diacetylamino)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 159793782
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide?
The IUPAC name of N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide (CID 126481628) is N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide.
What is the SMILES notation for N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide?
The canonical SMILES for N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide is CC(=O)N(C(=O)C(C)(C)CCC(=O)N(C)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide?
The InChIKey is QVZYHCGBEFKXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-13(22)21(18(5,6)7)16(25)19(8,9)12-11-14(23)20(10)15(24)17(2,3)4/h11-12H2,1-10H3.
What are the key properties of N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide?
N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide has a molecular weight of 354.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-tert-butyl-N'-(2,2-dimethylpropanoyl)-N',2,2-trimethylpentanediamide is sourced from PubChem (CID 126481628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).