N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C22H24N4O4 — CID 4229926

IUPACN-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCC(C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O4/c1-4-14(2)24-19(27)13-23-21(28)20-17-7-5-6-8-18(17)22(29)26(25-20)15-9-11-16(30-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyMTPFNPGZONSFDK-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 4229926) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID4229926
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCC(C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O4/c1-4-14(2)24-19(27)13-23-21(28)20-17-7-5-6-8-18(17)22(29)26(25-20)15-9-11-16(30-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyMTPFNPGZONSFDK-UHFFFAOYSA-N
XLogP2.04
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-3-(4-acetamidophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648323
Antifungal agent 35
CID 134130547
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648310
(2S)-2-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]acetamide
CID 23648312
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648313
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-phenylpropanamide
CID 23648316
2-{[3-(2,4-Dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(furan-2-YL)methyl]acetamide
CID 9551210
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 4229926) is N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is CCC(C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is MTPFNPGZONSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-14(2)24-19(27)13-23-21(28)20-17-7-5-6-8-18(17)22(29)26(25-20)15-9-11-16(30-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4229926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).