[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone

C36H38N2O4 — CID 158902777

IUPAC[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1.O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/2C18H19NO2/c2*20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h2*1-10,17H,11-14H2/t17-;/m0./s1
InChIKeyJFQUCBUHMYCEOU-LMOVPXPDSA-N
MW562.71 g/mol
LogP5.54
Rot. Bonds8

About [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone

[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone (PubChem CID 158902777) has the molecular formula C36H38N2O4 and a molecular weight of 562.71 g/mol. Its IUPAC name is [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
PubChem CID158902777
Molecular FormulaC36H38N2O4
Molecular Weight562.71 g/mol
Exact Mass562.28
IUPAC Name[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1.O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/2C18H19NO2/c2*20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h2*1-10,17H,11-14H2/t17-;/m0./s1
InChIKeyJFQUCBUHMYCEOU-LMOVPXPDSA-N
XLogP5.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
CID 159254937
CID 159254937
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
CID 59789274
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone?
The IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone (CID 158902777) is [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone.
What is the SMILES notation for [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone?
The canonical SMILES for [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone is O=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1.O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone?
The InChIKey is JFQUCBUHMYCEOU-LMOVPXPDSA-N. The full InChI is InChI=1S/2C18H19NO2/c2*20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h2*1-10,17H,11-14H2/t17-;/m0./s1.
What are the key properties of [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone?
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone has a molecular weight of 562.71 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone is sourced from PubChem (CID 158902777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).