N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide

C23H26N2O4 — CID 26006499

IUPACN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc([C@H](CNC(=O)COc2cccc3ccccc23)N2CCOCC2)o1
InChIInChI=1S/C23H26N2O4/c1-17-9-10-22(29-17)20(25-11-13-27-14-12-25)15-24-23(26)16-28-21-8-4-6-18-5-2-3-7-19(18)21/h2-10,20H,11-16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyBDFVZHZEEFFNNN-FQEVSTJZSA-N
MW394.47 g/mol
LogP3.31
Rot. Bonds7

About N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 26006499) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
PubChem CID26006499
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc([C@H](CNC(=O)COc2cccc3ccccc23)N2CCOCC2)o1
InChIInChI=1S/C23H26N2O4/c1-17-9-10-22(29-17)20(25-11-13-27-14-12-25)15-24-23(26)16-28-21-8-4-6-18-5-2-3-7-19(18)21/h2-10,20H,11-16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyBDFVZHZEEFFNNN-FQEVSTJZSA-N
XLogP3.31
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide (CID 26006499) is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide is Cc1ccc([C@H](CNC(=O)COc2cccc3ccccc23)N2CCOCC2)o1.
What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is BDFVZHZEEFFNNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-17-9-10-22(29-17)20(25-11-13-27-14-12-25)15-24-23(26)16-28-21-8-4-6-18-5-2-3-7-19(18)21/h2-10,20H,11-16H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide?
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 394.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 26006499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).