(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide

C17H30N2O4 — CID 124612477

IUPAC(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2CCC3(CC2)OCCO3)CC(C)(C)O1
InChIInChI=1S/C17H30N2O4/c1-13-11-19(12-16(2,3)23-13)15(20)18-10-14-4-6-17(7-5-14)21-8-9-22-17/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyDEZHHOUGHICRBK-ZDUSSCGKSA-N
MW326.44 g/mol
LogP2.13
Rot. Bonds2

About (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide

(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 124612477) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID124612477
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2CCC3(CC2)OCCO3)CC(C)(C)O1
InChIInChI=1S/C17H30N2O4/c1-13-11-19(12-16(2,3)23-13)15(20)18-10-14-4-6-17(7-5-14)21-8-9-22-17/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyDEZHHOUGHICRBK-ZDUSSCGKSA-N
XLogP2.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 107839512
2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
CID 48634964
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
cis-(1R,3S)-3-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319617
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95137726
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48713605
tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
CID 48713065
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide (CID 124612477) is (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)NCC2CCC3(CC2)OCCO3)CC(C)(C)O1.
What is the InChIKey of (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is DEZHHOUGHICRBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-13-11-19(12-16(2,3)23-13)15(20)18-10-14-4-6-17(7-5-14)21-8-9-22-17/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide?
(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 124612477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).