2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide

C24H27NO3 — CID 133252076

IUPAC2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO3/c1-4-23(28-22-14-17(2)13-18(3)15-22)24(26)25-11-12-27-21-10-9-19-7-5-6-8-20(19)16-21/h5-10,13-16,23H,4,11-12H2,1-3H3,(H,25,26)
InChIKeyDXAXTQOUXXZMNQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.81
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide

2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide (PubChem CID 133252076) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
PubChem CID133252076
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C24H27NO3/c1-4-23(28-22-14-17(2)13-18(3)15-22)24(26)25-11-12-27-21-10-9-19-7-5-6-8-20(19)16-21/h5-10,13-16,23H,4,11-12H2,1-3H3,(H,25,26)
InChIKeyDXAXTQOUXXZMNQ-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.81
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-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100547724
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide (CID 133252076) is 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The InChIKey is DXAXTQOUXXZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-23(28-22-14-17(2)13-18(3)15-22)24(26)25-11-12-27-21-10-9-19-7-5-6-8-20(19)16-21/h5-10,13-16,23H,4,11-12H2,1-3H3,(H,25,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide?
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide has a molecular weight of 377.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide is sourced from PubChem (CID 133252076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).