N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide

C16H29N3O4 — CID 51362759

IUPACN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NCC1CCCO1)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O4/c20-15(17-6-2-7-19-8-11-22-12-9-19)4-5-16(21)18-13-14-3-1-10-23-14/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyOBDZZDQYOCOFED-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.10
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide

N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide (PubChem CID 51362759) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
PubChem CID51362759
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NCC1CCCO1)NCCCN1CCOCC1
InChIInChI=1S/C16H29N3O4/c20-15(17-6-2-7-19-8-11-22-12-9-19)4-5-16(21)18-13-14-3-1-10-23-14/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyOBDZZDQYOCOFED-UHFFFAOYSA-N
XLogP-0.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.10
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

N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
CID 7303816
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide (CID 51362759) is N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide is O=C(CCC(=O)NCC1CCCO1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide?
The InChIKey is OBDZZDQYOCOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c20-15(17-6-2-7-19-8-11-22-12-9-19)4-5-16(21)18-13-14-3-1-10-23-14/h14H,1-13H2,(H,17,20)(H,18,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide?
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide has a molecular weight of 327.43 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 51362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).