N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide

C20H26N2O2 — CID 109020403

IUPACN-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
SMILESCOc1ccc(CCNCCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-22(16-18-6-4-3-5-7-18)20(23)13-15-21-14-12-17-8-10-19(24-2)11-9-17/h3-11,21H,12-16H2,1-2H3
InChIKeyURQGJNFUDWNKPI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.88
Rot. Bonds9

About N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide

N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide (PubChem CID 109020403) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
PubChem CID109020403
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
SMILESCOc1ccc(CCNCCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-22(16-18-6-4-3-5-7-18)20(23)13-15-21-14-12-17-8-10-19(24-2)11-9-17/h3-11,21H,12-16H2,1-2H3
InChIKeyURQGJNFUDWNKPI-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-benzyl-3-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111184125
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
CID 109025650
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 110951173
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-benzyl-N-methyl-3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propanamide
CID 111134571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide (CID 109020403) is N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide is COc1ccc(CCNCCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The InChIKey is URQGJNFUDWNKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(16-18-6-4-3-5-7-18)20(23)13-15-21-14-12-17-8-10-19(24-2)11-9-17/h3-11,21H,12-16H2,1-2H3.
What are the key properties of N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide?
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 109020403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).