2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide

C14H20N4O2 — CID 110031073

IUPAC2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
SMILESCN(/C(N)=N/Cc1cccc(OCC(N)=O)c1)C1CC1
InChIInChI=1S/C14H20N4O2/c1-18(11-5-6-11)14(16)17-8-10-3-2-4-12(7-10)20-9-13(15)19/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyHZKUTODLNSECGO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.46
Rot. Bonds6

About 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide

2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide (PubChem CID 110031073) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
PubChem CID110031073
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
SMILESCN(/C(N)=N/Cc1cccc(OCC(N)=O)c1)C1CC1
InChIInChI=1S/C14H20N4O2/c1-18(11-5-6-11)14(16)17-8-10-3-2-4-12(7-10)20-9-13(15)19/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyHZKUTODLNSECGO-UHFFFAOYSA-N
XLogP0.46
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110030640
1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[2-(3-propoxyphenyl)ethyl]guanidine;hydroiodide
CID 110031702
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
N-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 110030433
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide (CID 110031073) is 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide is CN(/C(N)=N/Cc1cccc(OCC(N)=O)c1)C1CC1.
What is the InChIKey of 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide?
The InChIKey is HZKUTODLNSECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(11-5-6-11)14(16)17-8-10-3-2-4-12(7-10)20-9-13(15)19/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17).
What are the key properties of 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide?
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 110031073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).