1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide

C13H21N3O2 — CID 80502292

IUPAC1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H21N3O2/c1-4-5-15-11(17)10(3)16-12(18)13(8-14)6-9(2)7-13/h9-10H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyUMWYQFVBXIIRRL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.96
Rot. Bonds5

About 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide

1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide (PubChem CID 80502292) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide
PubChem CID80502292
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H21N3O2/c1-4-5-15-11(17)10(3)16-12(18)13(8-14)6-9(2)7-13/h9-10H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyUMWYQFVBXIIRRL-UHFFFAOYSA-N
XLogP0.96
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114417346
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 115693613
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
CID 103770292
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
1-cyano-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 113255770
1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 61461956
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide (CID 80502292) is 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide is CCCNC(=O)C(C)NC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is UMWYQFVBXIIRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-5-15-11(17)10(3)16-12(18)13(8-14)6-9(2)7-13/h9-10H,4-7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80502292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).