2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide

C10H13N5O2 — CID 76873988

IUPAC2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C10H13N5O2/c11-9(16)6-17-8-3-1-7(2-4-8)5-14-15-10(12)13/h1-5H,6H2,(H2,11,16)(H4,12,13,15)
InChIKeyDDDFKWSDHVHSMG-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.84
Rot. Bonds5

About 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide

2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 76873988) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
PubChem CID76873988
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C10H13N5O2/c11-9(16)6-17-8-3-1-7(2-4-8)5-14-15-10(12)13/h1-5H,6H2,(H2,11,16)(H4,12,13,15)
InChIKeyDDDFKWSDHVHSMG-UHFFFAOYSA-N
XLogP-0.84
TPSA129.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]propanoic acid
CID 168591032
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592438
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide (CID 76873988) is 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide is NC(=O)COc1ccc(C=NN=C(N)N)cc1.
What is the InChIKey of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is DDDFKWSDHVHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9(16)6-17-8-3-1-7(2-4-8)5-14-15-10(12)13/h1-5H,6H2,(H2,11,16)(H4,12,13,15).
What are the key properties of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide?
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 235.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 76873988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).