benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium

C24H24N3O4+ — CID 66639148

IUPACbenzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N[N+](C)=Cc2ccccc2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-27(16-17-9-5-4-6-10-17)26-24(29)19-11-7-8-12-20(19)25-23(28)18-13-14-21(30-2)22(15-18)31-3/h4-16H,1-3H3,(H-,25,26,28,29)/p+1
InChIKeyWABCANJMBBSCBC-UHFFFAOYSA-O
MW418.47 g/mol
LogP3.36
Rot. Bonds7

About benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium

benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium (PubChem CID 66639148) has the molecular formula C24H24N3O4+ and a molecular weight of 418.47 g/mol. Its IUPAC name is benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium.

Molecular Properties

Compound Namebenzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium
PubChem CID66639148
Molecular FormulaC24H24N3O4+
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Namebenzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N[N+](C)=Cc2ccccc2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-27(16-17-9-5-4-6-10-17)26-24(29)19-11-7-8-12-20(19)25-23(28)18-13-14-21(30-2)22(15-18)31-3/h4-16H,1-3H3,(H-,25,26,28,29)/p+1
InChIKeyWABCANJMBBSCBC-UHFFFAOYSA-O
XLogP3.36
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide
CID 4949371
N-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 136648311
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 58816470

Frequently Asked Questions

What is the IUPAC name of benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium?
The IUPAC name of benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium (CID 66639148) is benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium.
What is the SMILES notation for benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium?
The canonical SMILES for benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium is COc1ccc(C(=O)Nc2ccccc2C(=O)N[N+](C)=Cc2ccccc2)cc1OC.
What is the InChIKey of benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium?
The InChIKey is WABCANJMBBSCBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O4/c1-27(16-17-9-5-4-6-10-17)26-24(29)19-11-7-8-12-20(19)25-23(28)18-13-14-21(30-2)22(15-18)31-3/h4-16H,1-3H3,(H-,25,26,28,29)/p+1.
What are the key properties of benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium?
benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium has a molecular weight of 418.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-methylazanium is sourced from PubChem (CID 66639148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).