N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

C26H23N5O4 — CID 129449464

IUPACN-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H23N5O4/c1-16(17-12-14-19(35-2)15-13-17)28-31-26(34)23(27-24(32)18-8-4-3-5-9-18)22-20-10-6-7-11-21(20)25(33)30-29-22/h3-15,23H,1-2H3,(H,27,32)(H,30,33)(H,31,34)/t23-/m1/s1
InChIKeyLVNJBHOTPDACFN-HSZRJFAPSA-N
MW469.50 g/mol
LogP2.94
Rot. Bonds7

About N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (PubChem CID 129449464) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
PubChem CID129449464
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC NameN-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H23N5O4/c1-16(17-12-14-19(35-2)15-13-17)28-31-26(34)23(27-24(32)18-8-4-3-5-9-18)22-20-10-6-7-11-21(20)25(33)30-29-22/h3-15,23H,1-2H3,(H,27,32)(H,30,33)(H,31,34)/t23-/m1/s1
InChIKeyLVNJBHOTPDACFN-HSZRJFAPSA-N
XLogP2.94
TPSA125.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide 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-[(1S)-2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 129449543
N-[2-[(2E)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 15947663
N-[2-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 2831900
N-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 2833448
N-[2-[2-[1-(4-methyl-2-pyridinyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 91318378
N-[2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]ethyl]benzamide
CID 87771313
N-[(1S)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 27543395
N-[(1S)-2-oxo-2-[(2Z)-2-[1-[(3S)-2-oxooxolan-3-yl]ethylidene]hydrazinyl]-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 98457637
N-[(1S)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 92957493
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6867420
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 2831899
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 135650836

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (CID 129449464) is N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is COc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The InChIKey is LVNJBHOTPDACFN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-16(17-12-14-19(35-2)15-13-17)28-31-26(34)23(27-24(32)18-8-4-3-5-9-18)22-20-10-6-7-11-21(20)25(33)30-29-22/h3-15,23H,1-2H3,(H,27,32)(H,30,33)(H,31,34)/t23-/m1/s1.
What are the key properties of N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide has a molecular weight of 469.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 129449464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).