2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

C20H26N2O2 — CID 87012687

IUPAC2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCN(CC(=O)NCc1cccc(COC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(14-17-8-5-4-6-9-17)15-20(23)21-13-18-10-7-11-19(12-18)16-24-2/h4-12H,3,13-16H2,1-2H3,(H,21,23)
InChIKeyXMTXFHLPEFYJHU-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.97
Rot. Bonds9

About 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 87012687) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID87012687
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCN(CC(=O)NCc1cccc(COC)c1)Cc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(14-17-8-5-4-6-9-17)15-20(23)21-13-18-10-7-11-19(12-18)16-24-2/h4-12H,3,13-16H2,1-2H3,(H,21,23)
InChIKeyXMTXFHLPEFYJHU-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 87016166
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87013076
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (CID 87012687) is 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is CCN(CC(=O)NCc1cccc(COC)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is XMTXFHLPEFYJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-22(14-17-8-5-4-6-9-17)15-20(23)21-13-18-10-7-11-19(12-18)16-24-2/h4-12H,3,13-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87012687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).