5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide

C13H25ClN2O2 — CID 61251075

IUPAC5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCCl)N1CCOCC1
InChIInChI=1S/C13H25ClN2O2/c1-13(2,16-7-9-18-10-8-16)11-15-12(17)5-3-4-6-14/h3-11H2,1-2H3,(H,15,17)
InChIKeyPQEVJRHLSWMWGO-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.62
Rot. Bonds7

About 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide

5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide (PubChem CID 61251075) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
PubChem CID61251075
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCCl)N1CCOCC1
InChIInChI=1S/C13H25ClN2O2/c1-13(2,16-7-9-18-10-8-16)11-15-12(17)5-3-4-6-14/h3-11H2,1-2H3,(H,15,17)
InChIKeyPQEVJRHLSWMWGO-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
CID 61250344
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 51163428
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide (CID 61251075) is 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide is CC(C)(CNC(=O)CCCCCl)N1CCOCC1.
What is the InChIKey of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The InChIKey is PQEVJRHLSWMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O2/c1-13(2,16-7-9-18-10-8-16)11-15-12(17)5-3-4-6-14/h3-11H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide has a molecular weight of 276.81 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 61251075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).