N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide

C18H20N2O3 — CID 108946133

IUPACN'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
SMILESCOc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-20(13-14-7-4-3-5-8-14)18(22)12-17(21)19-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyJTSGMWGMVDIEQG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds6

About N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide

N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide (PubChem CID 108946133) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
PubChem CID108946133
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
SMILESCOc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-20(13-14-7-4-3-5-8-14)18(22)12-17(21)19-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyJTSGMWGMVDIEQG-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
methyl 4-[[3-[benzyl(methyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108946152
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The IUPAC name of N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide (CID 108946133) is N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide is COc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
The InChIKey is JTSGMWGMVDIEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(13-14-7-4-3-5-8-14)18(22)12-17(21)19-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide?
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide is sourced from PubChem (CID 108946133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).