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

C16H31ClN4O2 — CID 119660679

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)N(C)CCC(N)C(C)C)n1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-5-7-14-18-15(22-19-14)8-6-9-16(21)20(4)11-10-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3;1H
InChIKeyYVGQHHNMQSJRRM-UHFFFAOYSA-N
MW346.90 g/mol
LogP2.60
Rot. Bonds10

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

N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119660679) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119660679
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)N(C)CCC(N)C(C)C)n1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-5-7-14-18-15(22-19-14)8-6-9-16(21)20(4)11-10-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3;1H
InChIKeyYVGQHHNMQSJRRM-UHFFFAOYSA-N
XLogP2.60
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-methylpentyl)-N-methyl-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-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87011070
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490108
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
N-(3-amino-4-methylpentyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658647
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202639
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 87010762
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119660679) is N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CCCc1noc(CCCC(=O)N(C)CCC(N)C(C)C)n1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is YVGQHHNMQSJRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-5-7-14-18-15(22-19-14)8-6-9-16(21)20(4)11-10-13(17)12(2)3;/h12-13H,5-11,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.60, 10 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)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119660679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).