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

C21H27ClN4O2 — CID 120567918

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120567791
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 120567691
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-(2-amino-1-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120567448

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).