N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C28H29N3O2 — CID 16764985

IUPACN-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1nn(-c2ccc(NC(=O)C(C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C28H29N3O2/c1-18(2)17-21-9-11-22(12-10-21)19(3)27(32)29-23-13-15-24(16-14-23)31-28(33)26-8-6-5-7-25(26)20(4)30-31/h5-16,18-19H,17H2,1-4H3,(H,29,32)
InChIKeyLXMITXNIJQWWSA-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.63
Rot. Bonds6

About N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 16764985) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID16764985
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1nn(-c2ccc(NC(=O)C(C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C28H29N3O2/c1-18(2)17-21-9-11-22(12-10-21)19(3)27(32)29-23-13-15-24(16-14-23)31-28(33)26-8-6-5-7-25(26)20(4)30-31/h5-16,18-19H,17H2,1-4H3,(H,29,32)
InChIKeyLXMITXNIJQWWSA-UHFFFAOYSA-N
XLogP5.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
CID 59420626
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 7335407
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 16764985) is N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1nn(-c2ccc(NC(=O)C(C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LXMITXNIJQWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-18(2)17-21-9-11-22(12-10-21)19(3)27(32)29-23-13-15-24(16-14-23)31-28(33)26-8-6-5-7-25(26)20(4)30-31/h5-16,18-19H,17H2,1-4H3,(H,29,32).
What are the key properties of N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 439.56 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 16764985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).