3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide

C18H19N3O6 — CID 43056910

IUPAC3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-25-13-8-12(9-14(26-2)15(13)27-3)18(24)21-20-17(23)11-6-4-5-10(7-11)16(19)22/h4-9H,1-3H3,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyRCPMIXBQYNMTAR-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.89
Rot. Bonds6

About 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide

3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide (PubChem CID 43056910) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide.

Molecular Properties

Compound Name3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
PubChem CID43056910
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-25-13-8-12(9-14(26-2)15(13)27-3)18(24)21-20-17(23)11-6-4-5-10(7-11)16(19)22/h4-9H,1-3H3,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyRCPMIXBQYNMTAR-UHFFFAOYSA-N
XLogP0.89
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.89
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

N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide?
The IUPAC name of 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide (CID 43056910) is 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide.
What is the SMILES notation for 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide?
The canonical SMILES for 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide is COc1cc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc(OC)c1OC.
What is the InChIKey of 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide?
The InChIKey is RCPMIXBQYNMTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-25-13-8-12(9-14(26-2)15(13)27-3)18(24)21-20-17(23)11-6-4-5-10(7-11)16(19)22/h4-9H,1-3H3,(H2,19,22)(H,20,23)(H,21,24).
What are the key properties of 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide?
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide has a molecular weight of 373.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide is sourced from PubChem (CID 43056910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).