N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide

C23H23N3O3 — CID 58816470

IUPACN-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2/C(C)=N/c2ccccc2N)cc1OC
InChIInChI=1S/C23H23N3O3/c1-15(25-20-11-7-5-9-18(20)24)17-8-4-6-10-19(17)26-23(27)16-12-13-21(28-2)22(14-16)29-3/h4-14H,24H2,1-3H3,(H,26,27)/b25-15+
InChIKeyLZBYNWXSFOZXND-MFKUBSTISA-N
MW389.46 g/mol
LogP4.68
Rot. Bonds6

About N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide

N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 58816470) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID58816470
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2/C(C)=N/c2ccccc2N)cc1OC
InChIInChI=1S/C23H23N3O3/c1-15(25-20-11-7-5-9-18(20)24)17-8-4-6-10-19(17)26-23(27)16-12-13-21(28-2)22(14-16)29-3/h4-14H,24H2,1-3H3,(H,26,27)/b25-15+
InChIKeyLZBYNWXSFOZXND-MFKUBSTISA-N
XLogP4.68
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_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
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66638397
3,4-dimethoxy-N-[2-[1-[(1-methyl-2-pyridinylidene)amino]ethenyl]phenyl]benzamide
CID 143409694
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (CID 58816470) is N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2/C(C)=N/c2ccccc2N)cc1OC.
What is the InChIKey of N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is LZBYNWXSFOZXND-MFKUBSTISA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(25-20-11-7-5-9-18(20)24)17-8-4-6-10-19(17)26-23(27)16-12-13-21(28-2)22(14-16)29-3/h4-14H,24H2,1-3H3,(H,26,27)/b25-15+.
What are the key properties of N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-(2-aminophenyl)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 58816470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).