(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide

C18H32N2O3 — CID 96569943

IUPAC(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCOC1
InChIInChI=1S/C18H32N2O3/c21-17(16-5-4-10-23-13-16)19-14-18(6-2-1-3-7-18)15-20-8-11-22-12-9-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1
InChIKeyAANBCKFFOWYISB-INIZCTEOSA-N
MW324.47 g/mol
LogP1.81
Rot. Bonds5

About (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide

(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide (PubChem CID 96569943) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
PubChem CID96569943
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCOC1
InChIInChI=1S/C18H32N2O3/c21-17(16-5-4-10-23-13-16)19-14-18(6-2-1-3-7-18)15-20-8-11-22-12-9-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1
InChIKeyAANBCKFFOWYISB-INIZCTEOSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide (CID 96569943) is (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide is O=C(NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide?
The InChIKey is AANBCKFFOWYISB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N2O3/c21-17(16-5-4-10-23-13-16)19-14-18(6-2-1-3-7-18)15-20-8-11-22-12-9-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide?
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 96569943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).