2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide

C16H26N4O2 — CID 66965521

IUPAC2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide
SMILESCC(C)NCCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-11(2)17-8-5-9-18-15(21)10-14-12-6-3-4-7-13(12)16(22)20-19-14/h11,17H,3-10H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyAYYVTLFPOYYTLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.70
Rot. Bonds7

About 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide

2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide (PubChem CID 66965521) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide
PubChem CID66965521
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide
SMILESCC(C)NCCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-11(2)17-8-5-9-18-15(21)10-14-12-6-3-4-7-13(12)16(22)20-19-14/h11,17H,3-10H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyAYYVTLFPOYYTLW-UHFFFAOYSA-N
XLogP0.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide (CID 66965521) is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide is CC(C)NCCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide?
The InChIKey is AYYVTLFPOYYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)17-8-5-9-18-15(21)10-14-12-6-3-4-7-13(12)16(22)20-19-14/h11,17H,3-10H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide?
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(propan-2-ylamino)propyl]acetamide is sourced from PubChem (CID 66965521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).