N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

C24H23N3O6 — CID 126008715

IUPACN-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-19-13-16(14-20(32-2)21(19)33-3)22(28)25-18-12-8-7-11-17(18)24(30)27-26-23(29)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyMEOPTWVJDKNXCD-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 126008715) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID126008715
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O6/c1-31-19-13-16(14-20(32-2)21(19)33-3)22(28)25-18-12-8-7-11-17(18)24(30)27-26-23(29)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyMEOPTWVJDKNXCD-UHFFFAOYSA-N
XLogP3.04
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 126002279
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (CID 126008715) is N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is MEOPTWVJDKNXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-31-19-13-16(14-20(32-2)21(19)33-3)22(28)25-18-12-8-7-11-17(18)24(30)27-26-23(29)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 449.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 126008715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).