N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C18H20N4O3 — CID 120567691

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)NC(CN)c2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N4O3/c1-12-20-18(25-22-12)11-24-10-17(23)21-16(9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11,19H2,1H3,(H,21,23)
InChIKeyQZJVPNQGFULZNN-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.86
Rot. Bonds7

About N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 120567691) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID120567691
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)NC(CN)c2ccc3ccccc3c2)n1
InChIInChI=1S/C18H20N4O3/c1-12-20-18(25-22-12)11-24-10-17(23)21-16(9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11,19H2,1H3,(H,21,23)
InChIKeyQZJVPNQGFULZNN-UHFFFAOYSA-N
XLogP1.86
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 120567691) is N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)NC(CN)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is QZJVPNQGFULZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-20-18(25-22-12)11-24-10-17(23)21-16(9-19)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16H,9-11,19H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 120567691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).