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N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C21H27ClN4O2 — CID 120567918

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NC(CN)c2ccc3ccccc3c2)n1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-2-6-19-24-21(27-25-19)10-5-9-20(26)23-18(14-22)17-12-11-15-7-3-4-8-16(15)13-17;/h3-4,7-8,11-13,18H,2,5-6,9-10,14,22H2,1H3,(H,23,26);1H
InChIKeyYPSQZGJYENZEBH-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.74
Rot. Bonds9

About N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 120567918) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID120567918
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NC(CN)c2ccc3ccccc3c2)n1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-2-6-19-24-21(27-25-19)10-5-9-20(26)23-18(14-22)17-12-11-15-7-3-4-8-16(15)13-17;/h3-4,7-8,11-13,18H,2,5-6,9-10,14,22H2,1H3,(H,23,26);1H
InChIKeyYPSQZGJYENZEBH-UHFFFAOYSA-N
XLogP3.74
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 120567918) is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CCCc1noc(CCCC(=O)NC(CN)c2ccc3ccccc3c2)n1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is YPSQZGJYENZEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c1-2-6-19-24-21(27-25-19)10-5-9-20(26)23-18(14-22)17-12-11-15-7-3-4-8-16(15)13-17;/h3-4,7-8,11-13,18H,2,5-6,9-10,14,22H2,1H3,(H,23,26);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 120567918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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