3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide

C23H31NO3 — CID 133210929

IUPAC3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)CCc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C23H31NO3/c1-16(2)14-21(19-8-10-20(26-4)11-9-19)24-23(25)13-7-18-6-12-22(27-5)17(3)15-18/h6,8-12,15-16,21H,7,13-14H2,1-5H3,(H,24,25)
InChIKeyNQVZCGLYFNHBLL-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.85
Rot. Bonds9

About 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide

3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide (PubChem CID 133210929) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
PubChem CID133210929
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)CCc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C23H31NO3/c1-16(2)14-21(19-8-10-20(26-4)11-9-19)24-23(25)13-7-18-6-12-22(27-5)17(3)15-18/h6,8-12,15-16,21H,7,13-14H2,1-5H3,(H,24,25)
InChIKeyNQVZCGLYFNHBLL-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide (CID 133210929) is 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide is COc1ccc(C(CC(C)C)NC(=O)CCc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The InChIKey is NQVZCGLYFNHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-16(2)14-21(19-8-10-20(26-4)11-9-19)24-23(25)13-7-18-6-12-22(27-5)17(3)15-18/h6,8-12,15-16,21H,7,13-14H2,1-5H3,(H,24,25).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide is sourced from PubChem (CID 133210929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).