2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

C22H30N2O3 — CID 8680286

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O3/c1-17-13-20(26-3)21(27-4)14-19(17)15-24(2)16-22(25)23-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15-16H2,1-4H3,(H,23,25)
InChIKeyZCHDJZNCYFGXQB-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.19
Rot. Bonds10

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 8680286) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
PubChem CID8680286
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O3/c1-17-13-20(26-3)21(27-4)14-19(17)15-24(2)16-22(25)23-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15-16H2,1-4H3,(H,23,25)
InChIKeyZCHDJZNCYFGXQB-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217263
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26515600
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (CID 8680286) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is COc1cc(C)c(CN(C)CC(=O)NCCCc2ccccc2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is ZCHDJZNCYFGXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-13-20(26-3)21(27-4)14-19(17)15-24(2)16-22(25)23-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15-16H2,1-4H3,(H,23,25).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 8680286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).