3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide

C22H30N2O3 — CID 5166106

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O3/c1-17(19-8-6-5-7-9-19)23-22(25)13-15-24(2)14-12-18-10-11-20(26-3)21(16-18)27-4/h5-11,16-17H,12-15H2,1-4H3,(H,23,25)
InChIKeyPSMRGLPICOIBLT-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.45
Rot. Bonds10

About 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide

3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide (PubChem CID 5166106) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
PubChem CID5166106
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(CCN(C)CCC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O3/c1-17(19-8-6-5-7-9-19)23-22(25)13-15-24(2)14-12-18-10-11-20(26-3)21(16-18)27-4/h5-11,16-17H,12-15H2,1-4H3,(H,23,25)
InChIKeyPSMRGLPICOIBLT-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide (CID 5166106) is 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide is COc1ccc(CCN(C)CCC(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is PSMRGLPICOIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17(19-8-6-5-7-9-19)23-22(25)13-15-24(2)14-12-18-10-11-20(26-3)21(16-18)27-4/h5-11,16-17H,12-15H2,1-4H3,(H,23,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide?
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 5166106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).