2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide

C22H23NO3 — CID 7652508

IUPAC2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
SMILESCOc1ccc2ccc(OCC(=O)NC[C@@H](C)c3ccccc3)cc2c1
InChIInChI=1S/C22H23NO3/c1-16(17-6-4-3-5-7-17)14-23-22(24)15-26-21-11-9-18-8-10-20(25-2)12-19(18)13-21/h3-13,16H,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyOBOMWUUSORRKIA-MRXNPFEDSA-N
MW349.43 g/mol
LogP4.15
Rot. Bonds7

About 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide

2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7652508) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7652508
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
SMILESCOc1ccc2ccc(OCC(=O)NC[C@@H](C)c3ccccc3)cc2c1
InChIInChI=1S/C22H23NO3/c1-16(17-6-4-3-5-7-17)14-23-22(24)15-26-21-11-9-18-8-10-20(25-2)12-19(18)13-21/h3-13,16H,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyOBOMWUUSORRKIA-MRXNPFEDSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide (CID 7652508) is 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide is COc1ccc2ccc(OCC(=O)NC[C@@H](C)c3ccccc3)cc2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is OBOMWUUSORRKIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16(17-6-4-3-5-7-17)14-23-22(24)15-26-21-11-9-18-8-10-20(25-2)12-19(18)13-21/h3-13,16H,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide?
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7652508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).