5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide

C23H31NO3 — CID 3058597

IUPAC5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(CCc2cc(C(C)C)c(OC)cc2C)CC(N)=O)cc1
InChIInChI=1S/C23H31NO3/c1-15(2)21-13-18(16(3)12-22(21)27-5)6-7-19(14-23(24)25)17-8-10-20(26-4)11-9-17/h8-13,15,19H,6-7,14H2,1-5H3,(H2,24,25)
InChIKeyBSMYEKSJMTUKLK-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.73
Rot. Bonds9

About 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide

5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide (PubChem CID 3058597) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide
PubChem CID3058597
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(CCc2cc(C(C)C)c(OC)cc2C)CC(N)=O)cc1
InChIInChI=1S/C23H31NO3/c1-15(2)21-13-18(16(3)12-22(21)27-5)6-7-19(14-23(24)25)17-8-10-20(26-4)11-9-17/h8-13,15,19H,6-7,14H2,1-5H3,(H2,24,25)
InChIKeyBSMYEKSJMTUKLK-UHFFFAOYSA-N
XLogP4.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide?
The IUPAC name of 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide (CID 3058597) is 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide?
The canonical SMILES for 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide is COc1ccc(C(CCc2cc(C(C)C)c(OC)cc2C)CC(N)=O)cc1.
What is the InChIKey of 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide?
The InChIKey is BSMYEKSJMTUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-15(2)21-13-18(16(3)12-22(21)27-5)6-7-19(14-23(24)25)17-8-10-20(26-4)11-9-17/h8-13,15,19H,6-7,14H2,1-5H3,(H2,24,25).
What are the key properties of 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide?
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide has a molecular weight of 369.51 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 3058597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).