morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone

C16H25NO7 — CID 3325966

IUPACmorpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone
SMILESCC1(C)OC2OC(C(=O)N3CCOCC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C16H25NO7/c1-15(2)21-9-10(22-15)12-14(24-16(3,4)23-12)20-11(9)13(18)17-5-7-19-8-6-17/h9-12,14H,5-8H2,1-4H3
InChIKeyYGHHPTIFHNREJN-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.24
Rot. Bonds1

About morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone

morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone (PubChem CID 3325966) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone
PubChem CID3325966
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Namemorpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone
SMILESCC1(C)OC2OC(C(=O)N3CCOCC3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C16H25NO7/c1-15(2)21-9-10(22-15)12-14(24-16(3,4)23-12)20-11(9)13(18)17-5-7-19-8-6-17/h9-12,14H,5-8H2,1-4H3
InChIKeyYGHHPTIFHNREJN-UHFFFAOYSA-N
XLogP0.24
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone with MolForge

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Related Compounds

[(4R,5R)-2,2-dimethyl-5-(morpholine-4-carbonyl)-1,3-dioxolan-4-yl]-morpholin-4-ylmethanone
CID 24881834
(1R,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885604
(1S,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 140579372
oxiran-2-ylmethyl (1S,2R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 132597117
morpholin-4-yl-[(2R,3S)-3-propan-2-yloxiran-2-yl]methanone
CID 134927855
(1S,2R,6S,8S,9R)-4,4,11,11-tetramethyl-N-(4-methylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 7165511
(1S,2R,6S,8R,9S)-N-(4-chlorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 11888664
(1S,2R,6S,8S,9R)-N-(2-amino-2-oxoethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124776090
3-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]propanoic acid
CID 3148339
(1S,2R,6R,8S,9R)-N-(2-hydroxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 11874612
3-[[(1R,2R,6S,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]propanoate
CID 11906179
4-methyl-N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]piperazine-1-carboxamide
CID 11025458

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone?
The IUPAC name of morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone (CID 3325966) is morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone is CC1(C)OC2OC(C(=O)N3CCOCC3)C3OC(C)(C)OC3C2O1.
What is the InChIKey of morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone?
The InChIKey is YGHHPTIFHNREJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO7/c1-15(2)21-9-10(22-15)12-14(24-16(3,4)23-12)20-11(9)13(18)17-5-7-19-8-6-17/h9-12,14H,5-8H2,1-4H3.
What are the key properties of morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone?
morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanone is sourced from PubChem (CID 3325966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).