N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide

C13H21N3O2 — CID 112692116

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H21N3O2/c1-12(2,3)16-10(17)5-8-15-11(18)13(9-14)6-4-7-13/h4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGLCPUSDYFMEAPF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide

N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide (PubChem CID 112692116) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
PubChem CID112692116
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H21N3O2/c1-12(2,3)16-10(17)5-8-15-11(18)13(9-14)6-4-7-13/h4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGLCPUSDYFMEAPF-UHFFFAOYSA-N
XLogP1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide (CID 112692116) is N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide is CC(C)(C)NC(=O)CCNC(=O)C1(C#N)CCC1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide?
The InChIKey is GLCPUSDYFMEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2,3)16-10(17)5-8-15-11(18)13(9-14)6-4-7-13/h4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide?
N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 112692116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).