4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide

C18H17N3O2 — CID 9070861

IUPAC4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
SMILESC[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-7-3-2-4-8-13)11-19-18(23)16-14-9-5-6-10-15(14)17(22)21-20-16/h2-10,12H,11H2,1H3,(H,19,23)(H,21,22)/t12-/m0/s1
InChIKeyKOQXQKMFBYIYNE-LBPRGKRZSA-N
MW307.35 g/mol
LogP2.46
Rot. Bonds4

About 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide

4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide (PubChem CID 9070861) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
PubChem CID9070861
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
SMILESC[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-7-3-2-4-8-13)11-19-18(23)16-14-9-5-6-10-15(14)17(22)21-20-16/h2-10,12H,11H2,1H3,(H,19,23)(H,21,22)/t12-/m0/s1
InChIKeyKOQXQKMFBYIYNE-LBPRGKRZSA-N
XLogP2.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 138041211
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 107261147
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29479645
N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
CID 27848904
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide (CID 9070861) is 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide is C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide?
The InChIKey is KOQXQKMFBYIYNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(13-7-3-2-4-8-13)11-19-18(23)16-14-9-5-6-10-15(14)17(22)21-20-16/h2-10,12H,11H2,1H3,(H,19,23)(H,21,22)/t12-/m0/s1.
What are the key properties of 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 9070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).