2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide

C13H25N3O3 — CID 173284706

IUPAC2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
SMILESCC(C)(CC(=O)NCCCN1CCOCC1)C(N)=O
InChIInChI=1S/C13H25N3O3/c1-13(2,12(14)18)10-11(17)15-4-3-5-16-6-8-19-9-7-16/h3-10H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFREDTLWXGXAPLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.27
Rot. Bonds7

About 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide

2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide (PubChem CID 173284706) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
PubChem CID173284706
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
SMILESCC(C)(CC(=O)NCCCN1CCOCC1)C(N)=O
InChIInChI=1S/C13H25N3O3/c1-13(2,12(14)18)10-11(17)15-4-3-5-16-6-8-19-9-7-16/h3-10H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFREDTLWXGXAPLD-UHFFFAOYSA-N
XLogP-0.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
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
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide?
The IUPAC name of 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide (CID 173284706) is 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide.
What is the SMILES notation for 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide?
The canonical SMILES for 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide is CC(C)(CC(=O)NCCCN1CCOCC1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide?
The InChIKey is FREDTLWXGXAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,12(14)18)10-11(17)15-4-3-5-16-6-8-19-9-7-16/h3-10H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide?
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide has a molecular weight of 271.36 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide is sourced from PubChem (CID 173284706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).