N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide

C14H28N2O2 — CID 176837103

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-7-11(17)15-10-8-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyBTPKUVIFUWJPPL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.23
Rot. Bonds5

About N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide

N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide (PubChem CID 176837103) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
PubChem CID176837103
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-7-11(17)15-10-8-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyBTPKUVIFUWJPPL-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
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
N-(3,3-dimethylbutyl)butanamide
CID 115580246
N,N'-ditert-butylhexanediamide
CID 3593481

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide (CID 176837103) is N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide?
The InChIKey is BTPKUVIFUWJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)9-7-11(17)15-10-8-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide?
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide has a molecular weight of 256.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 176837103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).