N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide

C18H20N2O3 — CID 108945966

IUPACN-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)19-17(21)12-18(22)20-15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUHGGPBFLQQWEDM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds6

About N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide

N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide (PubChem CID 108945966) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
PubChem CID108945966
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)19-17(21)12-18(22)20-15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUHGGPBFLQQWEDM-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8619758
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide (CID 108945966) is N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide is COc1cccc(NC(=O)CC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide?
The InChIKey is UHGGPBFLQQWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)19-17(21)12-18(22)20-15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide?
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108945966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).