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

C23H31NO3 — CID 132655492

IUPAC2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-5-20(27-22-11-7-6-10-21(22)26-4)23(25)24-16-8-9-18-12-14-19(15-13-18)17(2)3/h6-7,10-15,17,20H,5,8-9,16H2,1-4H3,(H,24,25)
InChIKeyGHKJZIWRXBGMMR-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.72
Rot. Bonds10

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

2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide (PubChem CID 132655492) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
PubChem CID132655492
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-5-20(27-22-11-7-6-10-21(22)26-4)23(25)24-16-8-9-18-12-14-19(15-13-18)17(2)3/h6-7,10-15,17,20H,5,8-9,16H2,1-4H3,(H,24,25)
InChIKeyGHKJZIWRXBGMMR-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.72
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

N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide (CID 132655492) is 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide is CCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The InChIKey is GHKJZIWRXBGMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-5-20(27-22-11-7-6-10-21(22)26-4)23(25)24-16-8-9-18-12-14-19(15-13-18)17(2)3/h6-7,10-15,17,20H,5,8-9,16H2,1-4H3,(H,24,25).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide has a molecular weight of 369.51 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide is sourced from PubChem (CID 132655492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).