N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide

C24H27NO2 — CID 46764115

IUPACN-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C24H27NO2/c1-3-23(27-22-14-13-20-11-4-5-12-21(20)17-22)24(26)25-15-7-10-19-9-6-8-18(2)16-19/h4-6,8-9,11-14,16-17,23H,3,7,10,15H2,1-2H3,(H,25,26)
InChIKeyXJZCRSFFUDZYTC-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.05
Rot. Bonds8

About N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide

N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 46764115) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
PubChem CID46764115
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C24H27NO2/c1-3-23(27-22-14-13-20-11-4-5-12-21(20)17-22)24(26)25-15-7-10-19-9-6-8-18(2)16-19/h4-6,8-9,11-14,16-17,23H,3,7,10,15H2,1-2H3,(H,25,26)
InChIKeyXJZCRSFFUDZYTC-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide (CID 46764115) is N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(C)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is XJZCRSFFUDZYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-23(27-22-14-13-20-11-4-5-12-21(20)17-22)24(26)25-15-7-10-19-9-6-8-18(2)16-19/h4-6,8-9,11-14,16-17,23H,3,7,10,15H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 361.49 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 46764115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).