N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide

C16H20N2O — CID 80501320

IUPACN-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C16H20N2O/c1-3-18(11-14-7-5-4-6-8-14)15(19)16(12-17)9-13(2)10-16/h4-8,13H,3,9-11H2,1-2H3
InChIKeyDRBOTJVSBDQSCD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.97
Rot. Bonds4

About N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide

N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide (PubChem CID 80501320) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
PubChem CID80501320
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C16H20N2O/c1-3-18(11-14-7-5-4-6-8-14)15(19)16(12-17)9-13(2)10-16/h4-8,13H,3,9-11H2,1-2H3
InChIKeyDRBOTJVSBDQSCD-UHFFFAOYSA-N
XLogP2.97
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80502268
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501564
1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 80501020
N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80502296
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419
N-benzyl-1-carbamothioyl-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80591899
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide (CID 80501320) is N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide is CCN(Cc1ccccc1)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The InChIKey is DRBOTJVSBDQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(11-14-7-5-4-6-8-14)15(19)16(12-17)9-13(2)10-16/h4-8,13H,3,9-11H2,1-2H3.
What are the key properties of N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).