N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

C19H22N2O4 — CID 108955570

IUPACN'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-9-7-14(8-10-16)20-18(22)12-19(23)21-15-5-4-6-17(11-15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRRQGGNGWXSTCEA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.45
Rot. Bonds7

About N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide

N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108955570) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108955570
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-9-7-14(8-10-16)20-18(22)12-19(23)21-15-5-4-6-17(11-15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRRQGGNGWXSTCEA-UHFFFAOYSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide (CID 108955570) is N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is COc1cccc(NC(=O)CC(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is RRQGGNGWXSTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-16-9-7-14(8-10-16)20-18(22)12-19(23)21-15-5-4-6-17(11-15)24-3/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide?
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 342.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108955570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).