N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide

C14H20N2O — CID 113313642

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2(CN)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)8-13(17)16-10-14(9-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyLFSYHDAMZTVEFA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 113313642) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID113313642
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2(CN)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)8-13(17)16-10-14(9-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyLFSYHDAMZTVEFA-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-2-phenylacetamide
CID 70033577
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
CID 115271345
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide (CID 113313642) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is LFSYHDAMZTVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)8-13(17)16-10-14(9-15)6-7-14/h2-5H,6-10,15H2,1H3,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113313642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).