N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C25H35NO3 — CID 133160250

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C(C)Oc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C25H35NO3/c1-16(2)14-23(20-9-11-21(28-7)12-10-20)26-25(27)19(6)29-24-15-18(5)8-13-22(24)17(3)4/h8-13,15-17,19,23H,14H2,1-7H3,(H,26,27)
InChIKeyWZSINWBEIKLMRA-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.80
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133160250) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133160250
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C(C)Oc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C25H35NO3/c1-16(2)14-23(20-9-11-21(28-7)12-10-20)26-25(27)19(6)29-24-15-18(5)8-13-22(24)17(3)4/h8-13,15-17,19,23H,14H2,1-7H3,(H,26,27)
InChIKeyWZSINWBEIKLMRA-UHFFFAOYSA-N
XLogP5.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92673583
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132320

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133160250) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is COc1ccc(C(CC(C)C)NC(=O)C(C)Oc2cc(C)ccc2C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is WZSINWBEIKLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-16(2)14-23(20-9-11-21(28-7)12-10-20)26-25(27)19(6)29-24-15-18(5)8-13-22(24)17(3)4/h8-13,15-17,19,23H,14H2,1-7H3,(H,26,27).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 397.56 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133160250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).