tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate

C27H37N3O4 — CID 68753649

IUPACtert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H37N3O4/c1-27(2,3)34-26(31)28-25(22-6-10-24(11-7-22)30-14-18-33-19-15-30)20-21-4-8-23(9-5-21)29-12-16-32-17-13-29/h4-11,25H,12-20H2,1-3H3,(H,28,31)
InChIKeyAWOUPMLDGLPTFQ-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.17
Rot. Bonds6

About tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate

tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate (PubChem CID 68753649) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
PubChem CID68753649
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC Nametert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H37N3O4/c1-27(2,3)34-26(31)28-25(22-6-10-24(11-7-22)30-14-18-33-19-15-30)20-21-4-8-23(9-5-21)29-12-16-32-17-13-29/h4-11,25H,12-20H2,1-3H3,(H,28,31)
InChIKeyAWOUPMLDGLPTFQ-UHFFFAOYSA-N
XLogP4.17
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]-1-(4-propan-2-ylphenyl)ethyl]carbamate;hydroiodide
CID 111101184
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
CID 102141553
tert-butyl N-[2-[[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883570
3-(2,6-dichloro-4-morpholin-4-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881365
methyl (2S)-2-acetamido-3-(4-morpholin-4-ylphenyl)propanoate
CID 75176217
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
tert-butyl N-[(2S)-3-(4-carbamothioylphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 22865535
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
tert-butyl N-[(2R)-1-(4-cyanophenyl)-4-morpholin-4-ylbutan-2-yl]carbamate
CID 129196903
tert-butyl N-[(2S)-3-(3,4-dihydroxyphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 22865435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate (CID 68753649) is tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate?
The InChIKey is AWOUPMLDGLPTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-27(2,3)34-26(31)28-25(22-6-10-24(11-7-22)30-14-18-33-19-15-30)20-21-4-8-23(9-5-21)29-12-16-32-17-13-29/h4-11,25H,12-20H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate?
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate has a molecular weight of 467.61 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 68753649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).