4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide

C16H18N4O2 — CID 89175244

IUPAC4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide
SMILES[H]/N=C(\N)c1cc(C(=O)NCc2cccc(OC)c2)ccc1N
InChIInChI=1S/C16H18N4O2/c1-22-12-4-2-3-10(7-12)9-20-16(21)11-5-6-14(17)13(8-11)15(18)19/h2-8H,9,17H2,1H3,(H3,18,19)(H,20,21)
InChIKeyJGKKBDNEWOJMCX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.49
Rot. Bonds5

About 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide

4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 89175244) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID89175244
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide
SMILES[H]/N=C(\N)c1cc(C(=O)NCc2cccc(OC)c2)ccc1N
InChIInChI=1S/C16H18N4O2/c1-22-12-4-2-3-10(7-12)9-20-16(21)11-5-6-14(17)13(8-11)15(18)19/h2-8H,9,17H2,1H3,(H3,18,19)(H,20,21)
InChIKeyJGKKBDNEWOJMCX-UHFFFAOYSA-N
XLogP1.49
TPSA114.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide (CID 89175244) is 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide is [H]/N=C(\N)c1cc(C(=O)NCc2cccc(OC)c2)ccc1N.
What is the InChIKey of 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is JGKKBDNEWOJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-12-4-2-3-10(7-12)9-20-16(21)11-5-6-14(17)13(8-11)15(18)19/h2-8H,9,17H2,1H3,(H3,18,19)(H,20,21).
What are the key properties of 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide?
4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 89175244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).