N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C28H29N3O3 — CID 55439031

IUPACN-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C28H29N3O3/c1-20(2)22-10-8-21(9-11-22)19-30(23-12-14-24(34-3)15-13-23)28(33)16-17-31-26-7-5-4-6-25(26)27(32)18-29-31/h4-15,18,20H,16-17,19H2,1-3H3
InChIKeyXLTZEIXGGKYTPG-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.15
Rot. Bonds8

About N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 55439031) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID55439031
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C28H29N3O3/c1-20(2)22-10-8-21(9-11-22)19-30(23-12-14-24(34-3)15-13-23)28(33)16-17-31-26-7-5-4-6-25(26)27(32)18-29-31/h4-15,18,20H,16-17,19H2,1-3H3
InChIKeyXLTZEIXGGKYTPG-UHFFFAOYSA-N
XLogP5.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444335
N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934310
N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
CID 86834839
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 42921097
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9077285
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 134012541
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 55439031) is N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is XLTZEIXGGKYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(2)22-10-8-21(9-11-22)19-30(23-12-14-24(34-3)15-13-23)28(33)16-17-31-26-7-5-4-6-25(26)27(32)18-29-31/h4-15,18,20H,16-17,19H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 455.56 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 55439031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).