2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

C21H28N2O3 — CID 86908679

IUPAC2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-4-23(5-2)15-21(24)22-14-18-11-12-19(20(13-18)25-3)26-16-17-9-7-6-8-10-17/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyXDLCQLSDAZVFLG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.23
Rot. Bonds10

About 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 86908679) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID86908679
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-4-23(5-2)15-21(24)22-14-18-11-12-19(20(13-18)25-3)26-16-17-9-7-6-8-10-17/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyXDLCQLSDAZVFLG-UHFFFAOYSA-N
XLogP3.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24574981
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
N-benzyl-2-(diethylamino)acetamide
CID 969777
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290919
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide
CID 41047748

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (CID 86908679) is 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is CCN(CC)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is XDLCQLSDAZVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23(5-2)15-21(24)22-14-18-11-12-19(20(13-18)25-3)26-16-17-9-7-6-8-10-17/h6-13H,4-5,14-16H2,1-3H3,(H,22,24).
What are the key properties of 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86908679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).