N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide

C24H29N3O4 — CID 55574790

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cn2ncc3ccccc3c2=O)C(C)C)cc1OCC
InChIInChI=1S/C24H29N3O4/c1-5-30-20-12-11-17(13-21(20)31-6-2)23(16(3)4)26-22(28)15-27-24(29)19-10-8-7-9-18(19)14-25-27/h7-14,16,23H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyXKZADHHDBAQAMO-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.71
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55574790) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55574790
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cn2ncc3ccccc3c2=O)C(C)C)cc1OCC
InChIInChI=1S/C24H29N3O4/c1-5-30-20-12-11-17(13-21(20)31-6-2)23(16(3)4)26-22(28)15-27-24(29)19-10-8-7-9-18(19)14-25-27/h7-14,16,23H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyXKZADHHDBAQAMO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 25444421
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 52606481
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036644
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 55574790) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide is CCOc1ccc(C(NC(=O)Cn2ncc3ccccc3c2=O)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is XKZADHHDBAQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-30-20-12-11-17(13-21(20)31-6-2)23(16(3)4)26-22(28)15-27-24(29)19-10-8-7-9-18(19)14-25-27/h7-14,16,23H,5-6,15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55574790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).