N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide

C22H23N3O3 — CID 50964947

IUPACN-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccnc2ccccc12
InChIInChI=1S/C22H23N3O3/c1-3-28-20-11-7-6-10-19(20)24-21(26)14-22(27)25(2)15-16-12-13-23-18-9-5-4-8-17(16)18/h4-13H,3,14-15H2,1-2H3,(H,24,26)
InChIKeyUNFVYSJUMCBIIV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.62
Rot. Bonds7

About N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide

N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide (PubChem CID 50964947) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide
PubChem CID50964947
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccnc2ccccc12
InChIInChI=1S/C22H23N3O3/c1-3-28-20-11-7-6-10-19(20)24-21(26)14-22(27)25(2)15-16-12-13-23-18-9-5-4-8-17(16)18/h4-13H,3,14-15H2,1-2H3,(H,24,26)
InChIKeyUNFVYSJUMCBIIV-UHFFFAOYSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.62
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-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide
CID 50956495
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
CID 56583498
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
CID 174193763
CID 174193763
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
CID 16594941

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide (CID 50964947) is N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccnc2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide?
The InChIKey is UNFVYSJUMCBIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-20-11-7-6-10-19(20)24-21(26)14-22(27)25(2)15-16-12-13-23-18-9-5-4-8-17(16)18/h4-13H,3,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide?
N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide has a molecular weight of 377.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide is sourced from PubChem (CID 50964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).