2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide

C15H25F2N3O3 — CID 124917958

IUPAC2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)CCO1
InChIInChI=1S/C15H25F2N3O3/c1-19(10-13(18)21)8-12-9-20(5-6-23-12)14(22)11-3-2-4-15(16,17)7-11/h11-12H,2-10H2,1H3,(H2,18,21)/t11-,12+/m0/s1
InChIKeyIBUODBHHLPKVRC-NWDGAFQWSA-N
MW333.38 g/mol
LogP0.46
Rot. Bonds5

About 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 124917958) has the molecular formula C15H25F2N3O3 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID124917958
Molecular FormulaC15H25F2N3O3
Molecular Weight333.38 g/mol
Exact Mass333.19
IUPAC Name2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)CCO1
InChIInChI=1S/C15H25F2N3O3/c1-19(10-13(18)21)8-12-9-20(5-6-23-12)14(22)11-3-2-4-15(16,17)7-11/h11-12H,2-10H2,1H3,(H2,18,21)/t11-,12+/m0/s1
InChIKeyIBUODBHHLPKVRC-NWDGAFQWSA-N
XLogP0.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide with MolForge

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Related Compounds

2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141
2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340144
2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875467
2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129477993
2-[(4-ethylsulfonylmorpholin-2-yl)methyl-methylamino]acetamide
CID 154739726
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
2-[[(2R)-4-(3-ethylpyridine-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129340878
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide (CID 124917958) is 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCC(F)(F)C2)CCO1.
What is the InChIKey of 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is IBUODBHHLPKVRC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25F2N3O3/c1-19(10-13(18)21)8-12-9-20(5-6-23-12)14(22)11-3-2-4-15(16,17)7-11/h11-12H,2-10H2,1H3,(H2,18,21)/t11-,12+/m0/s1.
What are the key properties of 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 333.38 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 124917958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).