(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone

C18H26N2O3 — CID 128970938

IUPAC(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
SMILESCN(CC1CC1)CC1CN(C(=O)[C@@H](O)c2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c1-19(11-14-7-8-14)12-16-13-20(9-10-23-16)18(22)17(21)15-5-3-2-4-6-15/h2-6,14,16-17,21H,7-13H2,1H3/t16?,17-/m0/s1
InChIKeyKYLLJFLDKRHSQS-DJNXLDHESA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds6

About (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone

(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone (PubChem CID 128970938) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
PubChem CID128970938
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
SMILESCN(CC1CC1)CC1CN(C(=O)[C@@H](O)c2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c1-19(11-14-7-8-14)12-16-13-20(9-10-23-16)18(22)17(21)15-5-3-2-4-6-15/h2-6,14,16-17,21H,7-13H2,1H3/t16?,17-/m0/s1
InChIKeyKYLLJFLDKRHSQS-DJNXLDHESA-N
XLogP1.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342482
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 129336719
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(2-methyl-4-pyridinyl)morpholine-4-carboxamide
CID 129343856
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone (CID 128970938) is (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone is CN(CC1CC1)CC1CN(C(=O)[C@@H](O)c2ccccc2)CCO1.
What is the InChIKey of (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is KYLLJFLDKRHSQS-DJNXLDHESA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19(11-14-7-8-14)12-16-13-20(9-10-23-16)18(22)17(21)15-5-3-2-4-6-15/h2-6,14,16-17,21H,7-13H2,1H3/t16?,17-/m0/s1.
What are the key properties of (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone?
(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 318.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 128970938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).