N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide

C15H27N3O2 — CID 115356267

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-8-15(11-16,9-7-2)13(20)17-10-12(19)18-14(3,4)5/h6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeySQNXYQBBSPDOTC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide (PubChem CID 115356267) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
PubChem CID115356267
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-8-15(11-16,9-7-2)13(20)17-10-12(19)18-14(3,4)5/h6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeySQNXYQBBSPDOTC-UHFFFAOYSA-N
XLogP2.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105417773
2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
CID 115360372
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
CID 106011392

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide (CID 115356267) is N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide?
The InChIKey is SQNXYQBBSPDOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-8-15(11-16,9-7-2)13(20)17-10-12(19)18-14(3,4)5/h6-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide has a molecular weight of 281.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide is sourced from PubChem (CID 115356267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).