2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide

C12H24N2O2 — CID 99631339

IUPAC2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
SMILESCO[C@]1(C)C[C@H](NC(=O)CN(C)C)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)9(7-12(11,3)16-6)13-10(15)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,15)/t9-,12+/m0/s1
InChIKeyMYLBWQOWZXIYJC-JOYOIKCWSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds4

About 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide

2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide (PubChem CID 99631339) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
PubChem CID99631339
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
SMILESCO[C@]1(C)C[C@H](NC(=O)CN(C)C)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)9(7-12(11,3)16-6)13-10(15)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,15)/t9-,12+/m0/s1
InChIKeyMYLBWQOWZXIYJC-JOYOIKCWSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide (CID 99631339) is 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide is CO[C@]1(C)C[C@H](NC(=O)CN(C)C)C1(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide?
The InChIKey is MYLBWQOWZXIYJC-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)9(7-12(11,3)16-6)13-10(15)8-14(4)5/h9H,7-8H2,1-6H3,(H,13,15)/t9-,12+/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide?
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide is sourced from PubChem (CID 99631339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).