N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide

C18H20N2O3 — CID 108948790

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-23-16-9-7-14(8-10-16)11-12-19-17(21)13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyAXUJBVWNRYNLMD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide

N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide (PubChem CID 108948790) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
PubChem CID108948790
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-23-16-9-7-14(8-10-16)11-12-19-17(21)13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyAXUJBVWNRYNLMD-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.38
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

N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
ethyl 4-[[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948861
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide (CID 108948790) is N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide is COc1ccc(CCNC(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide?
The InChIKey is AXUJBVWNRYNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-9-7-14(8-10-16)11-12-19-17(21)13-18(22)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide is sourced from PubChem (CID 108948790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).