N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide

C18H22N2O2 — CID 47009079

IUPACN-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CCNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N2O2/c1-14(21)20-17-9-7-15(8-10-17)13-19-12-11-16-5-3-4-6-18(16)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyAJQQHHLULBMQMM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide

N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide (PubChem CID 47009079) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
PubChem CID47009079
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
SMILESCOc1ccccc1CCNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N2O2/c1-14(21)20-17-9-7-15(8-10-17)13-19-12-11-16-5-3-4-6-18(16)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyAJQQHHLULBMQMM-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.99
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-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
N-[4-[2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111340113
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
CID 17410326
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide (CID 47009079) is N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide is COc1ccccc1CCNCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is AJQQHHLULBMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)20-17-9-7-15(8-10-17)13-19-12-11-16-5-3-4-6-18(16)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide?
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 47009079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).