N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C23H31NO4 — CID 100562087

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-15(2)19-9-7-17(5)11-21(19)27-14-23(25)24-13-18-8-10-20(28-16(3)4)22(12-18)26-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25)
InChIKeyFGUHYWIJVQJWAT-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.61
Rot. Bonds9

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 100562087) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID100562087
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-15(2)19-9-7-17(5)11-21(19)27-14-23(25)24-13-18-8-10-20(28-16(3)4)22(12-18)26-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25)
InChIKeyFGUHYWIJVQJWAT-UHFFFAOYSA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 100562087) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is COc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is FGUHYWIJVQJWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-15(2)19-9-7-17(5)11-21(19)27-14-23(25)24-13-18-8-10-20(28-16(3)4)22(12-18)26-6/h7-12,15-16H,13-14H2,1-6H3,(H,24,25).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 385.50 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 100562087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).