N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C20H21N3O4 — CID 9477309

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H21N3O4/c1-12(16-11-13(26-3)9-10-17(16)27-4)21-19(24)18-14-7-5-6-8-15(14)20(25)23(2)22-18/h5-12H,1-4H3,(H,21,24)/t12-/m1/s1
InChIKeyUIHVQVWVZXQYGQ-GFCCVEGCSA-N
MW367.41 g/mol
LogP2.44
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9477309) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9477309
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H21N3O4/c1-12(16-11-13(26-3)9-10-17(16)27-4)21-19(24)18-14-7-5-6-8-15(14)20(25)23(2)22-18/h5-12H,1-4H3,(H,21,24)/t12-/m1/s1
InChIKeyUIHVQVWVZXQYGQ-GFCCVEGCSA-N
XLogP2.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 26442487
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266522
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9262899
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9109111
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 17478588

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 9477309) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is UIHVQVWVZXQYGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(16-11-13(26-3)9-10-17(16)27-4)21-19(24)18-14-7-5-6-8-15(14)20(25)23(2)22-18/h5-12H,1-4H3,(H,21,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9477309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).