N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide

C19H22N2O3 — CID 108941713

IUPACN-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)13-20-18(22)12-19(23)21-16-10-6-7-11-17(16)24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIWFKVLHHKOTBJL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.58
Rot. Bonds7

About N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide

N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide (PubChem CID 108941713) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
PubChem CID108941713
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)13-20-18(22)12-19(23)21-16-10-6-7-11-17(16)24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIWFKVLHHKOTBJL-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.58
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

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CID 109011722
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CID 56549439
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
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N-(2-phenoxyphenyl)-2-phenylpropanamide
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N-(2-phenoxyphenyl)decanamide
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CID 109006006
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
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1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
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N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide?
The IUPAC name of N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide (CID 108941713) is N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide?
The canonical SMILES for N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide is CC(C)CNC(=O)CC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide?
The InChIKey is IWFKVLHHKOTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)13-20-18(22)12-19(23)21-16-10-6-7-11-17(16)24-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide?
N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide has a molecular weight of 326.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-(2-phenoxyphenyl)propanediamide is sourced from PubChem (CID 108941713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).