N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C24H23N3O6 — CID 137101903

IUPACN-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-20-12-16(13-21(32-2)22(20)33-3)23(29)26-19-7-5-4-6-18(19)24(30)27-25-14-15-8-10-17(28)11-9-15/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14-
InChIKeyITTHATJKHHXJKP-QFEZKATASA-N
MW449.46 g/mol
LogP3.43
Rot. Bonds8

About N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 137101903) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID137101903
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-20-12-16(13-21(32-2)22(20)33-3)23(29)26-19-7-5-4-6-18(19)24(30)27-25-14-15-8-10-17(28)11-9-15/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14-
InChIKeyITTHATJKHHXJKP-QFEZKATASA-N
XLogP3.43
TPSA118.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 126002279
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003783
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
N-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 136648311
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 137101903) is N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ITTHATJKHHXJKP-QFEZKATASA-N. The full InChI is InChI=1S/C24H23N3O6/c1-31-20-12-16(13-21(32-2)22(20)33-3)23(29)26-19-7-5-4-6-18(19)24(30)27-25-14-15-8-10-17(28)11-9-15/h4-14,28H,1-3H3,(H,26,29)(H,27,30)/b25-14-.
What are the key properties of N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 449.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 137101903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).