2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide

C14H17N3O — CID 79854071

IUPAC2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H17N3O/c15-9-11-2-4-12(5-3-11)10-17-13(18)8-14(16)6-1-7-14/h2-5H,1,6-8,10,16H2,(H,17,18)
InChIKeyNCTMCPMSDQOVRS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.45
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide

2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 79854071) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID79854071
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H17N3O/c15-9-11-2-4-12(5-3-11)10-17-13(18)8-14(16)6-1-7-14/h2-5H,1,6-8,10,16H2,(H,17,18)
InChIKeyNCTMCPMSDQOVRS-UHFFFAOYSA-N
XLogP1.45
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
CID 104677749
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 64679463
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 79853828
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
N-[(4-cyanophenyl)methyl]-2-(2,4-dioxo-1-oxa-3-azaspiro[4.4]nonan-3-yl)acetamide
CID 167831965
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide (CID 79854071) is 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)CC2(N)CCC2)cc1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is NCTMCPMSDQOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-11-2-4-12(5-3-11)10-17-13(18)8-14(16)6-1-7-14/h2-5H,1,6-8,10,16H2,(H,17,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide?
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 79854071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).