tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate

C18H32N2O4 — CID 19423304

IUPACtert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-15(13-14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h14-15H,4-13H2,1-3H3,(H,19,22)
InChIKeyTVAQSVQBPVXDMP-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate

tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate (PubChem CID 19423304) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate
PubChem CID19423304
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-15(13-14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h14-15H,4-13H2,1-3H3,(H,19,22)
InChIKeyTVAQSVQBPVXDMP-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate (CID 19423304) is tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate?
The InChIKey is TVAQSVQBPVXDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-15(13-14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h14-15H,4-13H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate?
tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate has a molecular weight of 340.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 19423304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).