3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide

C13H26N2O2 — CID 2225348

IUPAC3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCC(C)(C)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11-12(16)14-5-4-6-15-7-9-17-10-8-15/h4-11H2,1-3H3,(H,14,16)
InChIKeyXRYYQGQSRYAOIJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide

3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 2225348) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID2225348
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCC(C)(C)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11-12(16)14-5-4-6-15-7-9-17-10-8-15/h4-11H2,1-3H3,(H,14,16)
InChIKeyXRYYQGQSRYAOIJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
2-methyl-4-(2-morpholin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 43529638
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide (CID 2225348) is 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide is CC(C)(C)CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is XRYYQGQSRYAOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11-12(16)14-5-4-6-15-7-9-17-10-8-15/h4-11H2,1-3H3,(H,14,16).
What are the key properties of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide?
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 2225348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).