N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide

C25H25N3O4 — CID 66638397

IUPACN-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C25H25N3O4/c1-16-9-10-17(2)19(13-16)15-26-28-25(30)20-7-5-6-8-21(20)27-24(29)18-11-12-22(31-3)23(14-18)32-4/h5-15H,1-4H3,(H,27,29)(H,28,30)
InChIKeyNAWFWUQSAWDFTK-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide

N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 66638397) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID66638397
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C25H25N3O4/c1-16-9-10-17(2)19(13-16)15-26-28-25(30)20-7-5-6-8-21(20)27-24(29)18-11-12-22(31-3)23(14-18)32-4/h5-15H,1-4H3,(H,27,29)(H,28,30)
InChIKeyNAWFWUQSAWDFTK-UHFFFAOYSA-N
XLogP4.34
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzamide
CID 23107796
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
CID 23107625
N-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 136648311
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
N-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003783
[2-[(Z)-[[2-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003145
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3,4-dimethoxy-N-[2-[[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 66637894
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide (CID 66638397) is N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is NAWFWUQSAWDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-9-10-17(2)19(13-16)15-26-28-25(30)20-7-5-6-8-21(20)27-24(29)18-11-12-22(31-3)23(14-18)32-4/h5-15H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 431.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 66638397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).