N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide

C15H22N2O2 — CID 18614335

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
SMILESNCC1(CNC(=O)Cc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O2/c16-11-15(6-8-19-9-7-15)12-17-14(18)10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18)
InChIKeyNOIZPJDYLALGOT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide

N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide (PubChem CID 18614335) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
PubChem CID18614335
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
SMILESNCC1(CNC(=O)Cc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O2/c16-11-15(6-8-19-9-7-15)12-17-14(18)10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18)
InChIKeyNOIZPJDYLALGOT-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-2-phenylacetamide
CID 70033577
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
1-[[(2-phenylacetyl)amino]methyl]spiro[2-oxabicyclo[2.1.1]hexane-3,4'-oxane]-4-carboxylic acid
CID 155956653
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide (CID 18614335) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide is NCC1(CNC(=O)Cc2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide?
The InChIKey is NOIZPJDYLALGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-15(6-8-19-9-7-15)12-17-14(18)10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18).
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 18614335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).