3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide

C21H23N3O3 — CID 33235152

IUPAC3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
SMILESC[C@H](OCCCNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(16-9-4-3-5-10-16)27-14-8-13-22-20(25)19-17-11-6-7-12-18(17)21(26)24(2)23-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFVEMXWUWCAQASV-HNNXBMFYSA-N
MW365.43 g/mol
LogP2.83
Rot. Bonds7

About 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide (PubChem CID 33235152) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
PubChem CID33235152
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
SMILESC[C@H](OCCCNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(16-9-4-3-5-10-16)27-14-8-13-22-20(25)19-17-11-6-7-12-18(17)21(26)24(2)23-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyFVEMXWUWCAQASV-HNNXBMFYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 55483560
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
benzyl-methyl-[3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propyl]azanium
CID 9049370
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 134048724
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide (CID 33235152) is 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide is C[C@H](OCCCNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide?
The InChIKey is FVEMXWUWCAQASV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(16-9-4-3-5-10-16)27-14-8-13-22-20(25)19-17-11-6-7-12-18(17)21(26)24(2)23-19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide is sourced from PubChem (CID 33235152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).