N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide

C14H17N3O3 — CID 2110499

IUPACN-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCCO)c2ccccc2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-8-17-14(20)11-6-4-3-5-10(11)12(16-17)13(19)15-7-9-18/h3-6,18H,2,7-9H2,1H3,(H,15,19)
InChIKeyZKESVDQHSIWZAV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.53
Rot. Bonds5

About N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide

N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 2110499) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID2110499
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCCO)c2ccccc2c1=O
InChIInChI=1S/C14H17N3O3/c1-2-8-17-14(20)11-6-4-3-5-10(11)12(16-17)13(19)15-7-9-18/h3-6,18H,2,7-9H2,1H3,(H,15,19)
InChIKeyZKESVDQHSIWZAV-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46524166
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N-[2-(4-nitroanilino)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 71901750
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 2713287
2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoic acid
CID 119349081
4-oxo-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459
N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465179

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide (CID 2110499) is N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)NCCO)c2ccccc2c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is ZKESVDQHSIWZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-8-17-14(20)11-6-4-3-5-10(11)12(16-17)13(19)15-7-9-18/h3-6,18H,2,7-9H2,1H3,(H,15,19).
What are the key properties of N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide?
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 2110499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).