N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride

C17H25ClN4O2 — CID 119657464

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cn1ncc2ccccc2c1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12(2)15(18)8-9-20(3)16(22)11-21-17(23)14-7-5-4-6-13(14)10-19-21;/h4-7,10,12,15H,8-9,11,18H2,1-3H3;1H
InChIKeyJKUCMTUZGZDWEM-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.65
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride (PubChem CID 119657464) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
PubChem CID119657464
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cn1ncc2ccccc2c1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12(2)15(18)8-9-20(3)16(22)11-21-17(23)14-7-5-4-6-13(14)10-19-21;/h4-7,10,12,15H,8-9,11,18H2,1-3H3;1H
InChIKeyJKUCMTUZGZDWEM-UHFFFAOYSA-N
XLogP1.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
CID 60602382
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 35682568
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 109399939
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
CID 119659171
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 81484328
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 86930822
2-phenacylphthalazin-1-one
CID 60774188

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride (CID 119657464) is N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)Cn1ncc2ccccc2c1=O.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride?
The InChIKey is JKUCMTUZGZDWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-12(2)15(18)8-9-20(3)16(22)11-21-17(23)14-7-5-4-6-13(14)10-19-21;/h4-7,10,12,15H,8-9,11,18H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.65, 6 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-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119657464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).