N-(1H-phthalazin-2-yl)-N-propanoylpropanamide

C14H17N3O2 — CID 67693179

IUPACN-(1H-phthalazin-2-yl)-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)N1Cc2ccccc2C=N1
InChIInChI=1S/C14H17N3O2/c1-3-13(18)17(14(19)4-2)16-10-12-8-6-5-7-11(12)9-15-16/h5-9H,3-4,10H2,1-2H3
InChIKeyDZGFZKLLUQSIIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds3

About N-(1H-phthalazin-2-yl)-N-propanoylpropanamide

N-(1H-phthalazin-2-yl)-N-propanoylpropanamide (PubChem CID 67693179) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1H-phthalazin-2-yl)-N-propanoylpropanamide.

Molecular Properties

Compound NameN-(1H-phthalazin-2-yl)-N-propanoylpropanamide
PubChem CID67693179
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1H-phthalazin-2-yl)-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)N1Cc2ccccc2C=N1
InChIInChI=1S/C14H17N3O2/c1-3-13(18)17(14(19)4-2)16-10-12-8-6-5-7-11(12)9-15-16/h5-9H,3-4,10H2,1-2H3
InChIKeyDZGFZKLLUQSIIQ-UHFFFAOYSA-N
XLogP1.93
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-phthalazin-2-yl)-N-propanoylpropanamide?
The IUPAC name of N-(1H-phthalazin-2-yl)-N-propanoylpropanamide (CID 67693179) is N-(1H-phthalazin-2-yl)-N-propanoylpropanamide.
What is the SMILES notation for N-(1H-phthalazin-2-yl)-N-propanoylpropanamide?
The canonical SMILES for N-(1H-phthalazin-2-yl)-N-propanoylpropanamide is CCC(=O)N(C(=O)CC)N1Cc2ccccc2C=N1.
What is the InChIKey of N-(1H-phthalazin-2-yl)-N-propanoylpropanamide?
The InChIKey is DZGFZKLLUQSIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13(18)17(14(19)4-2)16-10-12-8-6-5-7-11(12)9-15-16/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N-(1H-phthalazin-2-yl)-N-propanoylpropanamide?
N-(1H-phthalazin-2-yl)-N-propanoylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-phthalazin-2-yl)-N-propanoylpropanamide is sourced from PubChem (CID 67693179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).