2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

C15H33N5O3 — CID 111652856

IUPAC2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCN(C)CCCOC
InChIInChI=1S/C15H33N5O3/c1-5-16-15(19-13-14(21)17-8-12-23-4)18-7-10-20(2)9-6-11-22-3/h5-13H2,1-4H3,(H,17,21)(H2,16,18,19)
InChIKeyNVDZTZOSILHIPQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP-0.73
Rot. Bonds13

About 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111652856) has the molecular formula C15H33N5O3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111652856
Molecular FormulaC15H33N5O3
Molecular Weight331.46 g/mol
Exact Mass331.26
IUPAC Name2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCN(C)CCCOC
InChIInChI=1S/C15H33N5O3/c1-5-16-15(19-13-14(21)17-8-12-23-4)18-7-10-20(2)9-6-11-22-3/h5-13H2,1-4H3,(H,17,21)(H2,16,18,19)
InChIKeyNVDZTZOSILHIPQ-UHFFFAOYSA-N
XLogP-0.73
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111651521
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
ethyl 7-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]heptanoate
CID 111651022
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651076
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651576
ethyl 7-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 111651021
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]methyl]benzamide
CID 111653714
2-[[ethylamino-(5-methylhexylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111580173

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111652856) is 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN/C(=N\CC(=O)NCCOC)NCCN(C)CCCOC.
What is the InChIKey of 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is NVDZTZOSILHIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O3/c1-5-16-15(19-13-14(21)17-8-12-23-4)18-7-10-20(2)9-6-11-22-3/h5-13H2,1-4H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of -0.73, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111652856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).