4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide

C19H23N3O5 — CID 22149264

IUPAC4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide
SMILESCOc1ccc(C(=O)N/C(N)=N/Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O5/c1-24-14-7-5-13(6-8-14)18(23)22-19(20)21-11-12-9-15(25-2)17(27-4)16(10-12)26-3/h5-10H,11H2,1-4H3,(H3,20,21,22,23)
InChIKeyONBGSUODCTZSMN-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.97
Rot. Bonds7

About 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide

4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide (PubChem CID 22149264) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide
PubChem CID22149264
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide
SMILESCOc1ccc(C(=O)N/C(N)=N/Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23N3O5/c1-24-14-7-5-13(6-8-14)18(23)22-19(20)21-11-12-9-15(25-2)17(27-4)16(10-12)26-3/h5-10H,11H2,1-4H3,(H3,20,21,22,23)
InChIKeyONBGSUODCTZSMN-UHFFFAOYSA-N
XLogP1.97
TPSA104.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110930328
N-carbamothioyl-4-methoxybenzamide
CID 14007083
2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111377802
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
4-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048346
N-[2-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111042731
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide?
The IUPAC name of 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide (CID 22149264) is 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide is COc1ccc(C(=O)N/C(N)=N/Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide?
The InChIKey is ONBGSUODCTZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-24-14-7-5-13(6-8-14)18(23)22-19(20)21-11-12-9-15(25-2)17(27-4)16(10-12)26-3/h5-10H,11H2,1-4H3,(H3,20,21,22,23).
What are the key properties of 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide?
4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide is sourced from PubChem (CID 22149264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).