N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide

C16H20N4O4 — CID 171138517

IUPACN-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
SMILESCC(CO)NC(=O)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O4/c1-10(9-21)18-14(22)6-7-17-15(23)8-13-11-4-2-3-5-12(11)16(24)20-19-13/h2-5,10,21H,6-9H2,1H3,(H,17,23)(H,18,22)(H,20,24)
InChIKeyQLRKSAPATNXSOP-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.53
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide

N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide (PubChem CID 171138517) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
PubChem CID171138517
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
SMILESCC(CO)NC(=O)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O4/c1-10(9-21)18-14(22)6-7-17-15(23)8-13-11-4-2-3-5-12(11)16(24)20-19-13/h2-5,10,21H,6-9H2,1H3,(H,17,23)(H,18,22)(H,20,24)
InChIKeyQLRKSAPATNXSOP-UHFFFAOYSA-N
XLogP-0.53
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide with MolForge

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Related Compounds

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N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide (CID 171138517) is N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide is CC(CO)NC(=O)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide?
The InChIKey is QLRKSAPATNXSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(9-21)18-14(22)6-7-17-15(23)8-13-11-4-2-3-5-12(11)16(24)20-19-13/h2-5,10,21H,6-9H2,1H3,(H,17,23)(H,18,22)(H,20,24).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide?
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide has a molecular weight of 332.36 g/mol, XLogP of -0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 171138517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).