N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride

C20H31Cl2N3O2 — CID 119657556

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-15(2)17(21)12-13-23(3)20(24)11-7-10-19-22-14-18(25-19)16-8-5-4-6-9-16;;/h4-6,8-9,14-15,17H,7,10-13,21H2,1-3H3;2*1H
InChIKeyQTCFJZNUTWUVBF-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.34
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (PubChem CID 119657556) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
PubChem CID119657556
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-15(2)17(21)12-13-23(3)20(24)11-7-10-19-22-14-18(25-19)16-8-5-4-6-9-16;;/h4-6,8-9,14-15,17H,7,10-13,21H2,1-3H3;2*1H
InChIKeyQTCFJZNUTWUVBF-UHFFFAOYSA-N
XLogP4.34
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55897982
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55687069
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (CID 119657556) is N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)CCCc1ncc(-c2ccccc2)o1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The InChIKey is QTCFJZNUTWUVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c1-15(2)17(21)12-13-23(3)20(24)11-7-10-19-22-14-18(25-19)16-8-5-4-6-9-16;;/h4-6,8-9,14-15,17H,7,10-13,21H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119657556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).