N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride

C18H27ClN4O3 — CID 119659171

IUPACN-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-12(2)15(19)8-10-21(3)16(23)9-11-22-18(25)14-7-5-4-6-13(14)17(24)20-22;/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,24);1H
InChIKeyBSZMAEDFKSONMJ-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.33
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride (PubChem CID 119659171) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
PubChem CID119659171
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC NameN-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-12(2)15(19)8-10-21(3)16(23)9-11-22-18(25)14-7-5-4-6-13(14)17(24)20-22;/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,24);1H
InChIKeyBSZMAEDFKSONMJ-UHFFFAOYSA-N
XLogP1.33
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methylpropanamide
CID 95132698
2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198107
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 18195079
N-[2-(3-chlorophenoxy)ethyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide
CID 39169946
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
CID 119955260
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide
CID 55379554
N-butyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)propanamide
CID 78855628
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-(2-methylsulfanylethyl)propanamide
CID 166239918
N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
CID 119657464
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride (CID 119659171) is N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride?
The InChIKey is BSZMAEDFKSONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.ClH/c1-12(2)15(19)8-10-21(3)16(23)9-11-22-18(25)14-7-5-4-6-13(14)17(24)20-22;/h4-7,12,15H,8-11,19H2,1-3H3,(H,20,24);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119659171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).