tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate

C27H49N3O6 — CID 14427797

IUPACtert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C27H49N3O6/c1-27(2,3)36-26(32)29-22(19-21-9-5-4-6-10-21)23(35-25-11-7-8-16-34-25)20-24(31)28-12-13-30-14-17-33-18-15-30/h21-23,25H,4-20H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyIRFIXBBICFNBGU-UHFFFAOYSA-N
MW511.70 g/mol
LogP3.60
Rot. Bonds11

About tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate

tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate (PubChem CID 14427797) has the molecular formula C27H49N3O6 and a molecular weight of 511.70 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate
PubChem CID14427797
Molecular FormulaC27H49N3O6
Molecular Weight511.70 g/mol
Exact Mass511.36
IUPAC Nametert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1
InChIInChI=1S/C27H49N3O6/c1-27(2,3)36-26(32)29-22(19-21-9-5-4-6-10-21)23(35-25-11-7-8-16-34-25)20-24(31)28-12-13-30-14-17-33-18-15-30/h21-23,25H,4-20H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyIRFIXBBICFNBGU-UHFFFAOYSA-N
XLogP3.60
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.70
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

[4-[(2-methylbutyl)amino]-1-(2-methylpropyl)-4-oxo-2-[(tetrahydro-2H-pyran-2-yl)oxy] butyl]carbamic acid, 1,1-dimethylethyl ester
CID 14651694
[1-Cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid
CID 19771554
[1-Cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamic acid
CID 19991021
tert-butyl N-[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamate
CID 57139733
tert-butyl N-[(2S,3S)-1-cyclohexyl-7-(dimethylamino)-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamate
CID 10049641
tert-butyl N-[(2S,3S)-1-cyclohexyl-6-methyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamate
CID 10320219
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamate
CID 10364323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate (CID 14427797) is tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CC(=O)NCCN1CCOCC1)OC1CCCCO1.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate?
The InChIKey is IRFIXBBICFNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N3O6/c1-27(2,3)36-26(32)29-22(19-21-9-5-4-6-10-21)23(35-25-11-7-8-16-34-25)20-24(31)28-12-13-30-14-17-33-18-15-30/h21-23,25H,4-20H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate?
tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate has a molecular weight of 511.70 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-(oxan-2-yloxy)-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 14427797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).