tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate

C24H37N3O5 — CID 11575960

IUPACtert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NC1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)32-22(30)26-20(17-28)21(29)25-19-9-11-24(12-10-19,18-7-5-4-6-8-18)27-13-15-31-16-14-27/h4-8,19-20,28H,9-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyFCVWQFWSAFTEJN-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.16
Rot. Bonds6

About tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 11575960) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID11575960
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Nametert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NC1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)32-22(30)26-20(17-28)21(29)25-19-9-11-24(12-10-19,18-7-5-4-6-8-18)27-13-15-31-16-14-27/h4-8,19-20,28H,9-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyFCVWQFWSAFTEJN-UHFFFAOYSA-N
XLogP2.16
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 11510324
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
tert-butyl N-[1-[N'-methyl-N-[(4-phenyloxan-4-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730604
(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoic acid
CID 14657708
tert-butyl N-[1-[(1-benzylpyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18717996
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoate
CID 59414273
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 23519193
tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate
CID 174763798
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl N-[1-oxo-3-phenyl-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]propan-2-yl]carbamate
CID 55962083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate (CID 11575960) is tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(=O)NC1CCC(c2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is FCVWQFWSAFTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-23(2,3)32-22(30)26-20(17-28)21(29)25-19-9-11-24(12-10-19,18-7-5-4-6-8-18)27-13-15-31-16-14-27/h4-8,19-20,28H,9-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 447.58 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11575960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).