4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide

C14H28N2O2 — CID 135196463

IUPAC4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
SMILESCC(C)CC(=O)NCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)10-13(18)16-9-8-15-12(17)6-7-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyKTEWHOBCEIXLGZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds7

About 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide

4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide (PubChem CID 135196463) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
PubChem CID135196463
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
SMILESCC(C)CC(=O)NCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)10-13(18)16-9-8-15-12(17)6-7-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyKTEWHOBCEIXLGZ-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethyl]-3-methylbutanamide
CID 135139796
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
CID 158833418
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
3-methyl-N-[2-[3-(2-methylpropylsulfanyl)propanoylamino]ethyl]butanamide
CID 166977554
2,7,7-trimethyloctan-4-one
CID 62619842
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide (CID 135196463) is 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide is CC(C)CC(=O)NCCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide?
The InChIKey is KTEWHOBCEIXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)10-13(18)16-9-8-15-12(17)6-7-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide?
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide has a molecular weight of 256.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide is sourced from PubChem (CID 135196463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).