N-(2,2-diethoxyethyl)-2-methylpentanamide

C12H25NO3 — CID 79547187

IUPACN-(2,2-diethoxyethyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-5-8-10(4)12(14)13-9-11(15-6-2)16-7-3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyFVEZCGIKUXWGJD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.94
Rot. Bonds9

About N-(2,2-diethoxyethyl)-2-methylpentanamide

N-(2,2-diethoxyethyl)-2-methylpentanamide (PubChem CID 79547187) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-methylpentanamide
PubChem CID79547187
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(2,2-diethoxyethyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-5-8-10(4)12(14)13-9-11(15-6-2)16-7-3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyFVEZCGIKUXWGJD-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 79548398
methyl 2-chloro-3-(2-methylpentanoylamino)propanoate
CID 103492896
N-(2,2-diethoxyethyl)butanamide
CID 79548415
N-(2-chloro-3-methoxypropyl)-2-methylpentanamide
CID 114298733
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-methylpentanamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-methylpentanamide (CID 79547187) is N-(2,2-diethoxyethyl)-2-methylpentanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-methylpentanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-methylpentanamide is CCCC(C)C(=O)NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-methylpentanamide?
The InChIKey is FVEZCGIKUXWGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-8-10(4)12(14)13-9-11(15-6-2)16-7-3/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-diethoxyethyl)-2-methylpentanamide?
N-(2,2-diethoxyethyl)-2-methylpentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-methylpentanamide is sourced from PubChem (CID 79547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).