N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide

C15H30N2O2 — CID 143195947

IUPACN-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide
SMILESCCC(=O)N(CC(NC)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-9-12(18)17(13(19)15(5,6)7)10-11(16-8)14(2,3)4/h11,16H,9-10H2,1-8H3
InChIKeyWDEQWWZERHRXEZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.43
Rot. Bonds4

About N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide

N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide (PubChem CID 143195947) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide
PubChem CID143195947
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide
SMILESCCC(=O)N(CC(NC)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-9-12(18)17(13(19)15(5,6)7)10-11(16-8)14(2,3)4/h11,16H,9-10H2,1-8H3
InChIKeyWDEQWWZERHRXEZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
N,N'-1,2-propanediylbis(2-methylpropanamide)
CID 2931018
(S)-2-amino-N,N-diethyl-3,3-dimethylbutanamide
CID 25067345
tert-Butoxycarbonyl-alanyl-glycyl-isopropylamide
CID 5487201
N-[2-methyl-2-(propanoylamino)butyl]propanamide
CID 71922860
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
CID 58821518
N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide
CID 87529423
2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide
CID 87624056
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
CID 88935793
N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane
CID 143104403

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide?
The IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide (CID 143195947) is N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide.
What is the SMILES notation for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide?
The canonical SMILES for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide is CCC(=O)N(CC(NC)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide?
The InChIKey is WDEQWWZERHRXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-9-12(18)17(13(19)15(5,6)7)10-11(16-8)14(2,3)4/h11,16H,9-10H2,1-8H3.
What are the key properties of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide?
N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide is sourced from PubChem (CID 143195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).