N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide

C24H21N3O2 — CID 23876950

IUPACN,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O2/c1-27(2)24(28)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(26-25-22)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
InChIKeyJLSPCOJODOWOPF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.58
Rot. Bonds5

About N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide

N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide (PubChem CID 23876950) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide
PubChem CID23876950
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O2/c1-27(2)24(28)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(26-25-22)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
InChIKeyJLSPCOJODOWOPF-UHFFFAOYSA-N
XLogP4.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide
CID 2896385
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide
CID 1388925
N,N-dimethyl-4-[[[N'-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111872927
N,N-dimethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide
CID 6407320
N,N-dimethyl-4-(pyridin-2-yloxymethyl)benzamide
CID 75402934
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111874948
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
1-[(2-fluorophenyl)methoxy]-4-phenylphthalazine
CID 6407558
1-(dimethylcarbamoyl)-4-phenylmethoxyisoquinoline-3-carboxylic acid
CID 66713108
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
CID 71469690

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide (CID 23876950) is N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide is CN(C)C(=O)c1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide?
The InChIKey is JLSPCOJODOWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-27(2)24(28)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(26-25-22)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide?
N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide is sourced from PubChem (CID 23876950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).