2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

C24H33NO3 — CID 132657819

IUPAC2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C24H33NO3/c1-6-22(28-20-14-12-19(13-15-20)24(2,3)4)23(26)25-16-8-10-18-9-7-11-21(17-18)27-5/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26)
InChIKeyGHQGPXBWJUAULW-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.90
Rot. Bonds9

About 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (PubChem CID 132657819) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
PubChem CID132657819
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C24H33NO3/c1-6-22(28-20-14-12-19(13-15-20)24(2,3)4)23(26)25-16-8-10-18-9-7-11-21(17-18)27-5/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26)
InChIKeyGHQGPXBWJUAULW-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (CID 132657819) is 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The InChIKey is GHQGPXBWJUAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-6-22(28-20-14-12-19(13-15-20)24(2,3)4)23(26)25-16-8-10-18-9-7-11-21(17-18)27-5/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide has a molecular weight of 383.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132657819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).