4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide

C15H16N4O2 — CID 14211292

IUPAC4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
SMILESNC(N)=NCc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H16N4O2/c16-15(17)18-9-10-1-3-11(4-2-10)14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21)(H4,16,17,18)
InChIKeyDKKIOOJISRZRKX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.42
Rot. Bonds4

About 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide

4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide (PubChem CID 14211292) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
PubChem CID14211292
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
SMILESNC(N)=NCc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H16N4O2/c16-15(17)18-9-10-1-3-11(4-2-10)14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21)(H4,16,17,18)
InChIKeyDKKIOOJISRZRKX-UHFFFAOYSA-N
XLogP1.42
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-sulfanylideneethyl)-N-(4-hydroxyphenyl)benzamide
CID 82179485
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
methyl 2-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]benzoate
CID 14211291
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-[4-[(diaminomethylideneamino)methyl]phenyl]-5-formylpyridine-2-carboxamide
CID 166476886
[4-[[4-(diaminomethylideneamino)benzoyl]amino]phenyl]methyl carbamate
CID 175512286
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390

Frequently Asked Questions

What is the IUPAC name of 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide (CID 14211292) is 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide is NC(N)=NCc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide?
The InChIKey is DKKIOOJISRZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-15(17)18-9-10-1-3-11(4-2-10)14(21)19-12-5-7-13(20)8-6-12/h1-8,20H,9H2,(H,19,21)(H4,16,17,18).
What are the key properties of 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide?
4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 14211292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).