N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide

C16H21N3O2 — CID 46652418

IUPACN,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C)C)c2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-4-5-8-11-19-15(20)13-10-7-6-9-12(13)14(17-19)16(21)18(2)3/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyURJMLONPBITOTC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide

N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 46652418) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID46652418
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C)C)c2ccccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-4-5-8-11-19-15(20)13-10-7-6-9-12(13)14(17-19)16(21)18(2)3/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyURJMLONPBITOTC-UHFFFAOYSA-N
XLogP2.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 78796231
N-(1-aminopropan-2-yl)-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide;hydrochloride
CID 119581362
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-ethyl-N-(2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55689000
N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55594846
3-butyl-N-[4-(dimethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 8698562
[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167894
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 78781512
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
N-(2-amino-2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119639720

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide (CID 46652418) is N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)N(C)C)c2ccccc2c1=O.
What is the InChIKey of N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is URJMLONPBITOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-8-11-19-15(20)13-10-7-6-9-12(13)14(17-19)16(21)18(2)3/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide?
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 46652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).