4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide

C37H43NO5 — CID 137465652

IUPAC4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc(CCNC(=O)CCC(C)(C)c2cc(OC)c(OCc3ccccc3)cc2C)cc1OCc1ccccc1
InChIInChI=1S/C37H43NO5/c1-27-22-34(42-25-29-12-8-6-9-13-29)33(41-5)24-31(27)37(2,3)20-18-36(39)38-21-19-28-16-17-32(40-4)35(23-28)43-26-30-14-10-7-11-15-30/h6-17,22-24H,18-21,25-26H2,1-5H3,(H,38,39)
InChIKeyXKUYIHRZIHEMEB-UHFFFAOYSA-N
MW581.75 g/mol
LogP7.59
Rot. Bonds15

About 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide

4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 137465652) has the molecular formula C37H43NO5 and a molecular weight of 581.75 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID137465652
Molecular FormulaC37H43NO5
Molecular Weight581.75 g/mol
Exact Mass581.31
IUPAC Name4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc(CCNC(=O)CCC(C)(C)c2cc(OC)c(OCc3ccccc3)cc2C)cc1OCc1ccccc1
InChIInChI=1S/C37H43NO5/c1-27-22-34(42-25-29-12-8-6-9-13-29)33(41-5)24-31(27)37(2,3)20-18-36(39)38-21-19-28-16-17-32(40-4)35(23-28)43-26-30-14-10-7-11-15-30/h6-17,22-24H,18-21,25-26H2,1-5H3,(H,38,39)
InChIKeyXKUYIHRZIHEMEB-UHFFFAOYSA-N
XLogP7.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.75
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide (CID 137465652) is 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide is COc1ccc(CCNC(=O)CCC(C)(C)c2cc(OC)c(OCc3ccccc3)cc2C)cc1OCc1ccccc1.
What is the InChIKey of 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is XKUYIHRZIHEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43NO5/c1-27-22-34(42-25-29-12-8-6-9-13-29)33(41-5)24-31(27)37(2,3)20-18-36(39)38-21-19-28-16-17-32(40-4)35(23-28)43-26-30-14-10-7-11-15-30/h6-17,22-24H,18-21,25-26H2,1-5H3,(H,38,39).
What are the key properties of 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide?
4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 581.75 g/mol, XLogP of 7.59, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 137465652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).