2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide

C23H31NO4 — CID 132658170

IUPAC2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C23H31NO4/c1-5-22(28-20-13-11-19(26-4)12-14-20)23(25)24-15-7-9-18-8-6-10-21(16-18)27-17(2)3/h6,8,10-14,16-17,22H,5,7,9,15H2,1-4H3,(H,24,25)
InChIKeyHLTHIRROHZRVSI-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.39
Rot. Bonds11

About 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide

2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide (PubChem CID 132658170) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
PubChem CID132658170
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C23H31NO4/c1-5-22(28-20-13-11-19(26-4)12-14-20)23(25)24-15-7-9-18-8-6-10-21(16-18)27-17(2)3/h6,8,10-14,16-17,22H,5,7,9,15H2,1-4H3,(H,24,25)
InChIKeyHLTHIRROHZRVSI-UHFFFAOYSA-N
XLogP4.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132657819
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2S)-N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100530658
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(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
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide (CID 132658170) is 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide is CCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide?
The InChIKey is HLTHIRROHZRVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-22(28-20-13-11-19(26-4)12-14-20)23(25)24-15-7-9-18-8-6-10-21(16-18)27-17(2)3/h6,8,10-14,16-17,22H,5,7,9,15H2,1-4H3,(H,24,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide?
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide has a molecular weight of 385.50 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide is sourced from PubChem (CID 132658170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).