N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide

C12H18N6O3 — CID 168602319

IUPACN-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C12H18N6O3/c1-20-6-10(19)16-8-4-3-7(21-2)5-9(8)17-12(15)18-11(13)14/h3-5H,6H2,1-2H3,(H,16,19)(H6,13,14,15,17,18)
InChIKeyNIGSCEZSKXXKOZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.50
Rot. Bonds5

About N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide

N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide (PubChem CID 168602319) has the molecular formula C12H18N6O3 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
PubChem CID168602319
Molecular FormulaC12H18N6O3
Molecular Weight294.32 g/mol
Exact Mass294.14
IUPAC NameN-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C12H18N6O3/c1-20-6-10(19)16-8-4-3-7(21-2)5-9(8)17-12(15)18-11(13)14/h3-5H,6H2,1-2H3,(H,16,19)(H6,13,14,15,17,18)
InChIKeyNIGSCEZSKXXKOZ-UHFFFAOYSA-N
XLogP-0.50
TPSA150.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
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

2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
[3-[[amino-(methoxycarbonylamino)methylidene]amino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate
CID 135711184
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
[3-[[amino-(methoxycarbonylamino)methylidene]amino]-4-[(2-methoxyacetyl)amino]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 135711171
1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
CID 20543767
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
phenyl 3-[[amino-(methoxycarbonylamino)methylidene]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonate
CID 135711164
N-(2-azido-4-methoxyphenyl)propanamide
CID 169324955
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
2-(2,4-difluorophenyl)-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131889857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide (CID 168602319) is N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OC)cc1/N=C(\N)N=C(N)N.
What is the InChIKey of N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide?
The InChIKey is NIGSCEZSKXXKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-20-6-10(19)16-8-4-3-7(21-2)5-9(8)17-12(15)18-11(13)14/h3-5H,6H2,1-2H3,(H,16,19)(H6,13,14,15,17,18).
What are the key properties of N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide?
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide has a molecular weight of 294.32 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 168602319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).