4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide

C23H27N3O3 — CID 46470773

IUPAC4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H27N3O3/c1-14(2)26-23(28)20-12-7-6-11-19(20)21(25-26)22(27)24-16(5)17-9-8-10-18(13-17)29-15(3)4/h6-16H,1-5H3,(H,24,27)
InChIKeyUBMVEISZYKYZJN-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.26
Rot. Bonds6

About 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide

4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide (PubChem CID 46470773) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
PubChem CID46470773
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H27N3O3/c1-14(2)26-23(28)20-12-7-6-11-19(20)21(25-26)22(27)24-16(5)17-9-8-10-18(13-17)29-15(3)4/h6-16H,1-5H3,(H,24,27)
InChIKeyUBMVEISZYKYZJN-UHFFFAOYSA-N
XLogP4.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55579509
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-[[3-(difluoromethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 49337556
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 2534802
N-[1-(4-methoxyphenyl)propyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78798678
N-[2-(3-methylphenoxy)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78797116
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide (CID 46470773) is 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1.
What is the InChIKey of 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The InChIKey is UBMVEISZYKYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14(2)26-23(28)20-12-7-6-11-19(20)21(25-26)22(27)24-16(5)17-9-8-10-18(13-17)29-15(3)4/h6-16H,1-5H3,(H,24,27).
What are the key properties of 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 46470773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).