tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate

C32H44N2O5 — CID 92767433

IUPACtert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)CC2)cc1C
InChIInChI=1S/C32H44N2O5/c1-23-19-25(11-16-29(23)37-5)21-34(31(36)39-32(2,3)4)27-14-12-26(13-15-27)30(35)33-17-18-38-28(22-33)20-24-9-7-6-8-10-24/h6-11,16,19,26-28H,12-15,17-18,20-22H2,1-5H3/t26?,27?,28-/m0/s1
InChIKeyXTHPZOYQZBIBAT-LADMEODRSA-N
MW536.71 g/mol
LogP5.77
Rot. Bonds7

About tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate

tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate (PubChem CID 92767433) has the molecular formula C32H44N2O5 and a molecular weight of 536.71 g/mol. Its IUPAC name is tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate
PubChem CID92767433
Molecular FormulaC32H44N2O5
Molecular Weight536.71 g/mol
Exact Mass536.33
IUPAC Nametert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)CC2)cc1C
InChIInChI=1S/C32H44N2O5/c1-23-19-25(11-16-29(23)37-5)21-34(31(36)39-32(2,3)4)27-14-12-26(13-15-27)30(35)33-17-18-38-28(22-33)20-24-9-7-6-8-10-24/h6-11,16,19,26-28H,12-15,17-18,20-22H2,1-5H3/t26?,27?,28-/m0/s1
InChIKeyXTHPZOYQZBIBAT-LADMEODRSA-N
XLogP5.77
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate with MolForge

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Related Compounds

(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
5-[[(2-methylpropan-2-yl)oxycarbonyl-(oxan-4-yl)amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385098
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
tert-butyl N-(1-acetylpiperidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate;1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethanone
CID 158666069
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(4-methyl-2-oxo-7-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 59397890
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate (CID 92767433) is tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate is COc1ccc(CN(C(=O)OC(C)(C)C)C2CCC(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)CC2)cc1C.
What is the InChIKey of tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate?
The InChIKey is XTHPZOYQZBIBAT-LADMEODRSA-N. The full InChI is InChI=1S/C32H44N2O5/c1-23-19-25(11-16-29(23)37-5)21-34(31(36)39-32(2,3)4)27-14-12-26(13-15-27)30(35)33-17-18-38-28(22-33)20-24-9-7-6-8-10-24/h6-11,16,19,26-28H,12-15,17-18,20-22H2,1-5H3/t26?,27?,28-/m0/s1.
What are the key properties of tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate?
tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate has a molecular weight of 536.71 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2S)-2-benzylmorpholine-4-carbonyl]cyclohexyl]-N-[(4-methoxy-3-methylphenyl)methyl]carbamate is sourced from PubChem (CID 92767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).