N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C24H29N3O4 — CID 9109111

IUPACN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCCOc1ccc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-5-13-30-20-12-11-17(15-21(20)31-14-6-2)16(3)25-23(28)22-18-9-7-8-10-19(18)24(29)27(4)26-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/t16-/m0/s1
InChIKeyGLGPCYYKMMNEFY-INIZCTEOSA-N
MW423.51 g/mol
LogP4.00
Rot. Bonds9

About N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9109111) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9109111
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCCOc1ccc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-5-13-30-20-12-11-17(15-21(20)31-14-6-2)16(3)25-23(28)22-18-9-7-8-10-19(18)24(29)27(4)26-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/t16-/m0/s1
InChIKeyGLGPCYYKMMNEFY-INIZCTEOSA-N
XLogP4.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxophthalazine-1-carboxamide
CID 7719211
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18143477
N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 25444421
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55672960
methyl (2S)-3-hydroxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate
CID 9277699
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 9109111) is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is CCCOc1ccc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCCC.
What is the InChIKey of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is GLGPCYYKMMNEFY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-13-30-20-12-11-17(15-21(20)31-14-6-2)16(3)25-23(28)22-18-9-7-8-10-19(18)24(29)27(4)26-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9109111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).