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

C16H21N3O — CID 64684065

IUPAC2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c17-11-13-4-6-14(7-5-13)12-19-15(20)10-16(18)8-2-1-3-9-16/h4-7H,1-3,8-10,12,18H2,(H,19,20)
InChIKeyVLVMGEVYACITFM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.23
Rot. Bonds4

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

2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 64684065) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID64684065
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)CC2(N)CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c17-11-13-4-6-14(7-5-13)12-19-15(20)10-16(18)8-2-1-3-9-16/h4-7H,1-3,8-10,12,18H2,(H,19,20)
InChIKeyVLVMGEVYACITFM-UHFFFAOYSA-N
XLogP2.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
CID 104677749
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 64679463
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
N-[(4-cyanophenyl)methyl]-2-(2,4-dioxo-1-oxa-3-azaspiro[4.4]nonan-3-yl)acetamide
CID 167831965
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide (CID 64684065) is 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)CC2(N)CCCCC2)cc1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is VLVMGEVYACITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-13-4-6-14(7-5-13)12-19-15(20)10-16(18)8-2-1-3-9-16/h4-7H,1-3,8-10,12,18H2,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide?
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 64684065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).