4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide

C20H23N3O2 — CID 167942080

IUPAC4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide
SMILESCC1=C(C(=O)N(C)CCNC(=O)C23C4C5C2C2C3C4C52C#N)CCC1
InChIInChI=1S/C20H23N3O2/c1-9-4-3-5-10(9)17(24)23(2)7-6-22-18(25)20-14-11-15(20)13-16(20)12(14)19(11,13)8-21/h11-16H,3-7H2,1-2H3,(H,22,25)
InChIKeyLXNRLJXROIOFDK-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.32
Rot. Bonds5

About 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide

4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide (PubChem CID 167942080) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide
PubChem CID167942080
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide
SMILESCC1=C(C(=O)N(C)CCNC(=O)C23C4C5C2C2C3C4C52C#N)CCC1
InChIInChI=1S/C20H23N3O2/c1-9-4-3-5-10(9)17(24)23(2)7-6-22-18(25)20-14-11-15(20)13-16(20)12(14)19(11,13)8-21/h11-16H,3-7H2,1-2H3,(H,22,25)
InChIKeyLXNRLJXROIOFDK-UHFFFAOYSA-N
XLogP1.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide (CID 167942080) is 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide is CC1=C(C(=O)N(C)CCNC(=O)C23C4C5C2C2C3C4C52C#N)CCC1.
What is the InChIKey of 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide?
The InChIKey is LXNRLJXROIOFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-9-4-3-5-10(9)17(24)23(2)7-6-22-18(25)20-14-11-15(20)13-16(20)12(14)19(11,13)8-21/h11-16H,3-7H2,1-2H3,(H,22,25).
What are the key properties of 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide?
4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[methyl-(2-methylcyclopentene-1-carbonyl)amino]ethyl]cubane-1-carboxamide is sourced from PubChem (CID 167942080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).