N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide

C20H26N2O3 — CID 108997410

IUPACN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
SMILESCOc1ccc(CCNCC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(15-17-7-5-4-6-8-17)20(23)14-21-12-11-16-9-10-18(24-2)19(13-16)25-3/h4-10,13,21H,11-12,14-15H2,1-3H3
InChIKeyZXDKOQUTLDYAEO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.49
Rot. Bonds9

About N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide

N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide (PubChem CID 108997410) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
PubChem CID108997410
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
SMILESCOc1ccc(CCNCC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(15-17-7-5-4-6-8-17)20(23)14-21-12-11-16-9-10-18(24-2)19(13-16)25-3/h4-10,13,21H,11-12,14-15H2,1-3H3
InChIKeyZXDKOQUTLDYAEO-UHFFFAOYSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.49
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

N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methoxyphenyl)ethanone
CID 70619100
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 91636561
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide (CID 108997410) is N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide is COc1ccc(CCNCC(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide?
The InChIKey is ZXDKOQUTLDYAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(15-17-7-5-4-6-8-17)20(23)14-21-12-11-16-9-10-18(24-2)19(13-16)25-3/h4-10,13,21H,11-12,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide?
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 108997410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).