N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride

C16H29ClN4O2 — CID 119658824

IUPACN-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-11(2)13(17)9-10-20(3)15(21)6-4-5-14-18-16(19-22-14)12-7-8-12;/h11-13H,4-10,17H2,1-3H3;1H
InChIKeyIJFPSFTZKBPTFW-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.52
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride (PubChem CID 119658824) has the molecular formula C16H29ClN4O2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
PubChem CID119658824
Molecular FormulaC16H29ClN4O2
Molecular Weight344.89 g/mol
Exact Mass344.20
IUPAC NameN-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-11(2)13(17)9-10-20(3)15(21)6-4-5-14-18-16(19-22-14)12-7-8-12;/h11-13H,4-10,17H2,1-3H3;1H
InChIKeyIJFPSFTZKBPTFW-UHFFFAOYSA-N
XLogP2.52
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658647
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride (CID 119658824) is N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCCc1nc(C2CC2)no1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride?
The InChIKey is IJFPSFTZKBPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.ClH/c1-11(2)13(17)9-10-20(3)15(21)6-4-5-14-18-16(19-22-14)12-7-8-12;/h11-13H,4-10,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119658824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).