(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide

C24H27NO3 — CID 92673251

IUPAC(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C24H27NO3/c1-3-22(28-21-15-14-18-9-4-5-11-20(18)17-21)24(26)25-16-8-12-19-10-6-7-13-23(19)27-2/h4-7,9-11,13-15,17,22H,3,8,12,16H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyQNQLCJSXKGOWRO-QFIPXVFZSA-N
MW377.48 g/mol
LogP4.75
Rot. Bonds9

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

(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 92673251) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
PubChem CID92673251
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C24H27NO3/c1-3-22(28-21-15-14-18-9-4-5-11-20(18)17-21)24(26)25-16-8-12-19-10-6-7-13-23(19)27-2/h4-7,9-11,13-15,17,22H,3,8,12,16H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyQNQLCJSXKGOWRO-QFIPXVFZSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.75
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

(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide (CID 92673251) is (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1OC.
What is the InChIKey of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is QNQLCJSXKGOWRO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-22(28-21-15-14-18-9-4-5-11-20(18)17-21)24(26)25-16-8-12-19-10-6-7-13-23(19)27-2/h4-7,9-11,13-15,17,22H,3,8,12,16H2,1-2H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 377.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92673251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).