3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

C26H29NO4 — CID 2945757

IUPAC3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CC(c2ccc(OC(C)C)cc2)c2ccccc2OC)c1
InChIInChI=1S/C26H29NO4/c1-18(2)31-21-14-12-19(13-15-21)24(23-10-5-6-11-25(23)30-4)17-26(28)27-20-8-7-9-22(16-20)29-3/h5-16,18,24H,17H2,1-4H3,(H,27,28)
InChIKeyADNGLILLLPQKSS-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.65
Rot. Bonds9

About 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 2945757) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID2945757
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CC(c2ccc(OC(C)C)cc2)c2ccccc2OC)c1
InChIInChI=1S/C26H29NO4/c1-18(2)31-21-14-12-19(13-15-21)24(23-10-5-6-11-25(23)30-4)17-26(28)27-20-8-7-9-22(16-20)29-3/h5-16,18,24H,17H2,1-4H3,(H,27,28)
InChIKeyADNGLILLLPQKSS-UHFFFAOYSA-N
XLogP5.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 2945757) is 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is COc1cccc(NC(=O)CC(c2ccc(OC(C)C)cc2)c2ccccc2OC)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is ADNGLILLLPQKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-18(2)31-21-14-12-19(13-15-21)24(23-10-5-6-11-25(23)30-4)17-26(28)27-20-8-7-9-22(16-20)29-3/h5-16,18,24H,17H2,1-4H3,(H,27,28).
What are the key properties of 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 419.52 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 2945757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).