N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

C18H21N3O3 — CID 108948960

IUPACN-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)18(23)13-17(22)20-15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22)
InChIKeyIFZVCTRQFUHAQL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.12
Rot. Bonds7

About N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108948960) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108948960
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)18(23)13-17(22)20-15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22)
InChIKeyIFZVCTRQFUHAQL-UHFFFAOYSA-N
XLogP2.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138121
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108948960) is N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is COc1cccc(NC(=O)CC(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is IFZVCTRQFUHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)18(23)13-17(22)20-15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 327.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108948960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).