3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

C13H25ClN2O2 — CID 63663829

IUPAC3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CCl)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25ClN2O2/c1-12(2,9-14)11(17)15-10-13(3,4)16-5-7-18-8-6-16/h5-10H2,1-4H3,(H,15,17)
InChIKeyMTMMMDWYVPTXHR-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.48
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (PubChem CID 63663829) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
PubChem CID63663829
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CCl)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25ClN2O2/c1-12(2,9-14)11(17)15-10-13(3,4)16-5-7-18-8-6-16/h5-10H2,1-4H3,(H,15,17)
InChIKeyMTMMMDWYVPTXHR-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (CID 63663829) is 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is CC(C)(CCl)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The InChIKey is MTMMMDWYVPTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O2/c1-12(2,9-14)11(17)15-10-13(3,4)16-5-7-18-8-6-16/h5-10H2,1-4H3,(H,15,17).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide has a molecular weight of 276.81 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 63663829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).