3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide

C15H17N3O2 — CID 61102924

IUPAC3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-4-2-3-10(5-14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyXBZFGTPQZRMDBJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.79
Rot. Bonds4

About 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide

3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 61102924) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID61102924
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-4-2-3-10(5-14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyXBZFGTPQZRMDBJ-UHFFFAOYSA-N
XLogP1.79
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide (CID 61102924) is 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1.
What is the InChIKey of 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is XBZFGTPQZRMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-4-2-3-10(5-14)9-18-15(19)11-6-12(16)8-13(17)7-11/h2-8H,9,16-17H2,1H3,(H,18,19).
What are the key properties of 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide?
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 61102924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).