N,N'-bis(3-morpholin-4-ylpropyl)propanediamide

C17H32N4O4 — CID 21205309

IUPACN,N'-bis(3-morpholin-4-ylpropyl)propanediamide
SMILESO=C(CC(=O)NCCCN1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C17H32N4O4/c22-16(18-3-1-5-20-7-11-24-12-8-20)15-17(23)19-4-2-6-21-9-13-25-14-10-21/h1-15H2,(H,18,22)(H,19,23)
InChIKeyGHELOQVJJHSGRL-UHFFFAOYSA-N
MW356.47 g/mol
LogP-0.95
Rot. Bonds10

About N,N'-bis(3-morpholin-4-ylpropyl)propanediamide

N,N'-bis(3-morpholin-4-ylpropyl)propanediamide (PubChem CID 21205309) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is N,N'-bis(3-morpholin-4-ylpropyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3-morpholin-4-ylpropyl)propanediamide
PubChem CID21205309
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC NameN,N'-bis(3-morpholin-4-ylpropyl)propanediamide
SMILESO=C(CC(=O)NCCCN1CCOCC1)NCCCN1CCOCC1
InChIInChI=1S/C17H32N4O4/c22-16(18-3-1-5-20-7-11-24-12-8-20)15-17(23)19-4-2-6-21-9-13-25-14-10-21/h1-15H2,(H,18,22)(H,19,23)
InChIKeyGHELOQVJJHSGRL-UHFFFAOYSA-N
XLogP-0.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-morpholin-4-ylpropyl)propanediamide?
The IUPAC name of N,N'-bis(3-morpholin-4-ylpropyl)propanediamide (CID 21205309) is N,N'-bis(3-morpholin-4-ylpropyl)propanediamide.
What is the SMILES notation for N,N'-bis(3-morpholin-4-ylpropyl)propanediamide?
The canonical SMILES for N,N'-bis(3-morpholin-4-ylpropyl)propanediamide is O=C(CC(=O)NCCCN1CCOCC1)NCCCN1CCOCC1.
What is the InChIKey of N,N'-bis(3-morpholin-4-ylpropyl)propanediamide?
The InChIKey is GHELOQVJJHSGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c22-16(18-3-1-5-20-7-11-24-12-8-20)15-17(23)19-4-2-6-21-9-13-25-14-10-21/h1-15H2,(H,18,22)(H,19,23).
What are the key properties of N,N'-bis(3-morpholin-4-ylpropyl)propanediamide?
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide has a molecular weight of 356.47 g/mol, XLogP of -0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-morpholin-4-ylpropyl)propanediamide is sourced from PubChem (CID 21205309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).