N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide

C12H23N3O — CID 115356567

IUPACN-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-11(2,3)15-10(16)8-14-7-6-12(4,5)9-13/h14H,6-8H2,1-5H3,(H,15,16)
InChIKeyGQZWQNKYSJYEDN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.43
Rot. Bonds5

About N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide

N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide (PubChem CID 115356567) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
PubChem CID115356567
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-11(2,3)15-10(16)8-14-7-6-12(4,5)9-13/h14H,6-8H2,1-5H3,(H,15,16)
InChIKeyGQZWQNKYSJYEDN-UHFFFAOYSA-N
XLogP1.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
CID 113293207
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103260235
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
CID 28581448
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide (CID 115356567) is N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide is CC(C)(C#N)CCNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide?
The InChIKey is GQZWQNKYSJYEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2,3)15-10(16)8-14-7-6-12(4,5)9-13/h14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide?
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide has a molecular weight of 225.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 115356567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).