N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide

C16H22N4O3 — CID 118774253

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
SMILESC[C@@H]1CN(CC(=O)N(C)Cc2ccc3nonc3c2)C[C@H](C)O1
InChIInChI=1S/C16H22N4O3/c1-11-7-20(8-12(2)22-11)10-16(21)19(3)9-13-4-5-14-15(6-13)18-23-17-14/h4-6,11-12H,7-10H2,1-3H3/t11-,12+
InChIKeyXRXWFKKEBNQMJT-TXEJJXNPSA-N
MW318.38 g/mol
LogP1.29
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide (PubChem CID 118774253) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
PubChem CID118774253
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
SMILESC[C@@H]1CN(CC(=O)N(C)Cc2ccc3nonc3c2)C[C@H](C)O1
InChIInChI=1S/C16H22N4O3/c1-11-7-20(8-12(2)22-11)10-16(21)19(3)9-13-4-5-14-15(6-13)18-23-17-14/h4-6,11-12H,7-10H2,1-3H3/t11-,12+
InChIKeyXRXWFKKEBNQMJT-TXEJJXNPSA-N
XLogP1.29
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide (CID 118774253) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide is C[C@@H]1CN(CC(=O)N(C)Cc2ccc3nonc3c2)C[C@H](C)O1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide?
The InChIKey is XRXWFKKEBNQMJT-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-7-20(8-12(2)22-11)10-16(21)19(3)9-13-4-5-14-15(6-13)18-23-17-14/h4-6,11-12H,7-10H2,1-3H3/t11-,12+.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide has a molecular weight of 318.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 118774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).