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

C17H23N3O — CID 104677749

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(CN)CCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-11-14-4-6-15(7-5-14)12-20-16(21)10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-10,12-13,19H2,(H,20,21)
InChIKeyZGUHVSRKCDXTEK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds5

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

2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 104677749) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID104677749
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(CN)CCCCC2)cc1
InChIInChI=1S/C17H23N3O/c18-11-14-4-6-15(7-5-14)12-20-16(21)10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-10,12-13,19H2,(H,20,21)
InChIKeyZGUHVSRKCDXTEK-UHFFFAOYSA-N
XLogP2.47
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
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-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 81169710
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 81172247
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
(2S)-2-amino-3-(3-cyanophenyl)propanoic acid;2-[1-(aminomethyl)cyclohexyl]acetic acid
CID 68539164
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 113440200
N-[(4-cyanophenyl)methyl]-2-(2,4-dioxo-1-oxa-3-azaspiro[4.4]nonan-3-yl)acetamide
CID 167831965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide (CID 104677749) is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)CC2(CN)CCCCC2)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is ZGUHVSRKCDXTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-11-14-4-6-15(7-5-14)12-20-16(21)10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-10,12-13,19H2,(H,20,21).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 104677749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).