(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one

C18H27NO2 — CID 10851005

IUPAC(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
SMILESCC(C)C[C@H]1C(=O)O[C@@H](C(C)C)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C18H27NO2/c1-12(2)11-15-18(20)21-17(13(3)4)16(19(15)5)14-9-7-6-8-10-14/h6-10,12-13,15-17H,11H2,1-5H3/t15-,16+,17-/m0/s1
InChIKeyTZIOFHMEIRISKD-BBWFWOEESA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds4

About (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one

(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one (PubChem CID 10851005) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one.

Molecular Properties

Compound Name(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
PubChem CID10851005
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
SMILESCC(C)C[C@H]1C(=O)O[C@@H](C(C)C)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C18H27NO2/c1-12(2)11-15-18(20)21-17(13(3)4)16(19(15)5)14-9-7-6-8-10-14/h6-10,12-13,15-17H,11H2,1-5H3/t15-,16+,17-/m0/s1
InChIKeyTZIOFHMEIRISKD-BBWFWOEESA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10933359
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10966388
(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-18-[(4-methoxyphenyl)methyl]-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 122595071
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
(3S,6S,9S,12S,15S,18S,21R,24S)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 162892970
(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
CID 24805680
(3S,6R,9S,12R,15R,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6-(2-methylpropyl)-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 6915705
6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,21-tris(2-methylpropyl)-15-propan-2-yl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 118884733
6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone
CID 22952812
(3S,6R,9S,12R,15S,18R,21S,24R)-12,24-dibenzyl-4,6,10,16,18,22-hexamethyl-3-(3-methylbutyl)-9,15,21-tris(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 126498875
N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
CID 59883068
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one?
The IUPAC name of (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one (CID 10851005) is (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one.
What is the SMILES notation for (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one?
The canonical SMILES for (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one is CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)[C@@H](c2ccccc2)N1C.
What is the InChIKey of (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one?
The InChIKey is TZIOFHMEIRISKD-BBWFWOEESA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(2)11-15-18(20)21-17(13(3)4)16(19(15)5)14-9-7-6-8-10-14/h6-10,12-13,15-17H,11H2,1-5H3/t15-,16+,17-/m0/s1.
What are the key properties of (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one?
(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one is sourced from PubChem (CID 10851005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).