4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide

C16H17N3O3 — CID 6452760

IUPAC4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H17N3O3/c1-21-13-8-7-12(9-14(13)22-2)19-16(20)11-5-3-10(4-6-11)15(17)18/h3-9H,1-2H3,(H3,17,18)(H,19,20)
InChIKeyJRXLYNKDAPFVHG-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.24
Rot. Bonds5

About 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide

4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 6452760) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID6452760
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C16H17N3O3/c1-21-13-8-7-12(9-14(13)22-2)19-16(20)11-5-3-10(4-6-11)15(17)18/h3-9H,1-2H3,(H3,17,18)(H,19,20)
InChIKeyJRXLYNKDAPFVHG-UHFFFAOYSA-N
XLogP2.24
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 71449633
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
(3,4-dimethoxyphenyl)urea
CID 21197430
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide (CID 6452760) is 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide is [H]/N=C(\N)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is JRXLYNKDAPFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-13-8-7-12(9-14(13)22-2)19-16(20)11-5-3-10(4-6-11)15(17)18/h3-9H,1-2H3,(H3,17,18)(H,19,20).
What are the key properties of 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide?
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 6452760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).