3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide

C12H21ClN2O3 — CID 113408370

IUPAC3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(C)CCl)C(=O)N1CCOCC1
InChIInChI=1S/C12H21ClN2O3/c1-9(14-11(17)12(2,3)8-13)10(16)15-4-6-18-7-5-15/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyLZKXKRQPXANHKD-UHFFFAOYSA-N
MW276.76 g/mol
LogP0.61
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide

3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide (PubChem CID 113408370) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
PubChem CID113408370
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(C)CCl)C(=O)N1CCOCC1
InChIInChI=1S/C12H21ClN2O3/c1-9(14-11(17)12(2,3)8-13)10(16)15-4-6-18-7-5-15/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyLZKXKRQPXANHKD-UHFFFAOYSA-N
XLogP0.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.61
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-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide;hydrochloride
CID 119308587
2-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
CID 107472675
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
2-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 112684465

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide (CID 113408370) is 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide is CC(NC(=O)C(C)(C)CCl)C(=O)N1CCOCC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide?
The InChIKey is LZKXKRQPXANHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O3/c1-9(14-11(17)12(2,3)8-13)10(16)15-4-6-18-7-5-15/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide?
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide has a molecular weight of 276.76 g/mol, XLogP of 0.61, 4 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-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide is sourced from PubChem (CID 113408370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).