2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide

C20H26N2O3 — CID 2535329

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(2)13-16-10-11-18(24-3)19(12-16)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyCHBWICHRGZNWAP-OAHLLOKOSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 2535329) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID2535329
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(2)13-16-10-11-18(24-3)19(12-16)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyCHBWICHRGZNWAP-OAHLLOKOSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
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
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-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide (CID 2535329) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide is COc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is CHBWICHRGZNWAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(2)13-16-10-11-18(24-3)19(12-16)25-4/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 2535329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).