2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide

C14H26N2O2 — CID 113450294

IUPAC2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(C)(C)OC
InChIInChI=1S/C14H26N2O2/c1-6-8-14(10-15,9-7-2)12(17)16-11-13(3,4)18-5/h6-9,11H2,1-5H3,(H,16,17)
InChIKeyMMVYKMVPVYPGJE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.64
Rot. Bonds8

About 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide

2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide (PubChem CID 113450294) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
PubChem CID113450294
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(C)(C)OC
InChIInChI=1S/C14H26N2O2/c1-6-8-14(10-15,9-7-2)12(17)16-11-13(3,4)18-5/h6-9,11H2,1-5H3,(H,16,17)
InChIKeyMMVYKMVPVYPGJE-UHFFFAOYSA-N
XLogP2.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877
2-cyano-N-(2-methylcyclopropyl)-2-propylpentanamide
CID 62397735
2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
CID 106188923
2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
CID 115360372
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide (CID 113450294) is 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC(C)(C)OC.
What is the InChIKey of 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide?
The InChIKey is MMVYKMVPVYPGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-14(10-15,9-7-2)12(17)16-11-13(3,4)18-5/h6-9,11H2,1-5H3,(H,16,17).
What are the key properties of 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide?
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide has a molecular weight of 254.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide is sourced from PubChem (CID 113450294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).