2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide

C21H28N2O3 — CID 8798523

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-5-26-19-12-11-17(13-20(19)25-4)14-23(3)15-21(24)22-16(2)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyGSODXRPLUIXTBH-INIZCTEOSA-N
MW356.47 g/mol
LogP3.40
Rot. Bonds9

About 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide

2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 8798523) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID8798523
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-5-26-19-12-11-17(13-20(19)25-4)14-23(3)15-21(24)22-16(2)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyGSODXRPLUIXTBH-INIZCTEOSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
CID 5166106
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
CID 8694746
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 8798523) is 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide is CCOc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is GSODXRPLUIXTBH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-26-19-12-11-17(13-20(19)25-4)14-23(3)15-21(24)22-16(2)18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide?
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 8798523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).