N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide

C15H24N2O2 — CID 60977162

IUPACN-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
SMILESCCCCNC(=O)CNCc1ccccc1COC
InChIInChI=1S/C15H24N2O2/c1-3-4-9-17-15(18)11-16-10-13-7-5-6-8-14(13)12-19-2/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyZTFLMPWNEBZMMR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds9

About N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide

N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide (PubChem CID 60977162) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
PubChem CID60977162
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
SMILESCCCCNC(=O)CNCc1ccccc1COC
InChIInChI=1S/C15H24N2O2/c1-3-4-9-17-15(18)11-16-10-13-7-5-6-8-14(13)12-19-2/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyZTFLMPWNEBZMMR-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
CID 60976720
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942336
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
1-butyl-3-ethyl-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151831
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide (CID 60977162) is N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide is CCCCNC(=O)CNCc1ccccc1COC.
What is the InChIKey of N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide?
The InChIKey is ZTFLMPWNEBZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-9-17-15(18)11-16-10-13-7-5-6-8-14(13)12-19-2/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide?
N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 60977162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).