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

C24H23N3O5 — CID 1039665

IUPACN-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3ccccc3O)cc2)cc1OC
InChIInChI=1S/C24H23N3O5/c1-15(26-27-24(30)19-6-4-5-7-20(19)28)16-8-11-18(12-9-16)25-23(29)17-10-13-21(31-2)22(14-17)32-3/h4-14,28H,1-3H3,(H,25,29)(H,27,30)
InChIKeyIFCXABUOSQEJOB-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.82
Rot. Bonds7

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

N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 1039665) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID1039665
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3ccccc3O)cc2)cc1OC
InChIInChI=1S/C24H23N3O5/c1-15(26-27-24(30)19-6-4-5-7-20(19)28)16-8-11-18(12-9-16)25-23(29)17-10-13-21(31-2)22(14-17)32-3/h4-14,28H,1-3H3,(H,25,29)(H,27,30)
InChIKeyIFCXABUOSQEJOB-UHFFFAOYSA-N
XLogP3.82
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
4-hydroxy-3-methoxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 24818435
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646
2-methoxy-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6084116
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
2-hydroxy-N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 25237435
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
2-hydroxy-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide
CID 4521127

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide (CID 1039665) is N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3ccccc3O)cc2)cc1OC.
What is the InChIKey of N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is IFCXABUOSQEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-15(26-27-24(30)19-6-4-5-7-20(19)28)16-8-11-18(12-9-16)25-23(29)17-10-13-21(31-2)22(14-17)32-3/h4-14,28H,1-3H3,(H,25,29)(H,27,30).
What are the key properties of N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 433.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1039665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).