5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide

C25H33N5O2 — CID 23449371

IUPAC5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESCCCN(CCC)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)CCCCN
InChIInChI=1S/C25H33N5O2/c1-3-15-30(16-4-2)22-13-12-18(17-21(22)27-23(31)11-7-8-14-26)24-19-9-5-6-10-20(19)25(32)29-28-24/h5-6,9-10,12-13,17H,3-4,7-8,11,14-16,26H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyJLSSFFOAIFZMBO-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.28
Rot. Bonds11

About 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide

5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (PubChem CID 23449371) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
PubChem CID23449371
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESCCCN(CCC)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)CCCCN
InChIInChI=1S/C25H33N5O2/c1-3-15-30(16-4-2)22-13-12-18(17-21(22)27-23(31)11-7-8-14-26)24-19-9-5-6-10-20(19)25(32)29-28-24/h5-6,9-10,12-13,17H,3-4,7-8,11,14-16,26H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyJLSSFFOAIFZMBO-UHFFFAOYSA-N
XLogP4.28
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (CID 23449371) is 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is CCCN(CCC)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The InChIKey is JLSSFFOAIFZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-15-30(16-4-2)22-13-12-18(17-21(22)27-23(31)11-7-8-14-26)24-19-9-5-6-10-20(19)25(32)29-28-24/h5-6,9-10,12-13,17H,3-4,7-8,11,14-16,26H2,1-2H3,(H,27,31)(H,29,32).
What are the key properties of 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide has a molecular weight of 435.57 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 23449371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).