2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

C13H27N5O3 — CID 111037016

IUPAC2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C13H27N5O3/c1-20-8-4-15-12(19)11-17-13(14)16-3-2-5-18-6-9-21-10-7-18/h2-11H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyBQANIEXTAWFIEV-UHFFFAOYSA-N
MW301.39 g/mol
LogP-1.62
Rot. Bonds9

About 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111037016) has the molecular formula C13H27N5O3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111037016
Molecular FormulaC13H27N5O3
Molecular Weight301.39 g/mol
Exact Mass301.21
IUPAC Name2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C13H27N5O3/c1-20-8-4-15-12(19)11-17-13(14)16-3-2-5-18-6-9-21-10-7-18/h2-11H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyBQANIEXTAWFIEV-UHFFFAOYSA-N
XLogP-1.62
TPSA101.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.62
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

2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059920
N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide
CID 3849029
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089411
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111083643
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine
CID 110939994

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111037016) is 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)C/N=C(\N)NCCCN1CCOCC1.
What is the InChIKey of 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is BQANIEXTAWFIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O3/c1-20-8-4-15-12(19)11-17-13(14)16-3-2-5-18-6-9-21-10-7-18/h2-11H2,1H3,(H,15,19)(H3,14,16,17).
What are the key properties of 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of -1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111037016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).