3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide

C13H27N3O3 — CID 109015495

IUPAC3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCCCNCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-18-10-2-4-14-5-3-13(17)15-6-7-16-8-11-19-12-9-16/h14H,2-12H2,1H3,(H,15,17)
InChIKeyJDHJLNZNOTYKBS-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.55
Rot. Bonds10

About 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide

3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109015495) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109015495
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCCCNCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-18-10-2-4-14-5-3-13(17)15-6-7-16-8-11-19-12-9-16/h14H,2-12H2,1H3,(H,15,17)
InChIKeyJDHJLNZNOTYKBS-UHFFFAOYSA-N
XLogP-0.55
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994050
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
1-(2-methoxyethoxymethyl)-3-(2-morpholin-4-ylethyl)urea
CID 108894367
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109015495) is 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide is COCCCNCCC(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JDHJLNZNOTYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-18-10-2-4-14-5-3-13(17)15-6-7-16-8-11-19-12-9-16/h14H,2-12H2,1H3,(H,15,17).
What are the key properties of 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 273.38 g/mol, XLogP of -0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109015495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).