N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide

C15H18N2O — CID 80500969

IUPACN-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-12-8-15(9-12,11-16)14(18)17(2)10-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3
InChIKeyXRORCTHBOLWVSD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.58
Rot. Bonds3

About N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide

N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80500969) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80500969
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-12-8-15(9-12,11-16)14(18)17(2)10-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3
InChIKeyXRORCTHBOLWVSD-UHFFFAOYSA-N
XLogP2.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide (CID 80500969) is N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is XRORCTHBOLWVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-8-15(9-12,11-16)14(18)17(2)10-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3.
What are the key properties of N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.58, 3 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,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80500969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).