N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide

C12H24N2O2 — CID 110748551

IUPACN-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)NCC(C)(C)C)C1C
InChIInChI=1S/C12H24N2O2/c1-9-10(2)16-7-6-14(9)11(15)13-8-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyGKAQBRBOSFBPQI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds1

About N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide

N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide (PubChem CID 110748551) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide
PubChem CID110748551
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)NCC(C)(C)C)C1C
InChIInChI=1S/C12H24N2O2/c1-9-10(2)16-7-6-14(9)11(15)13-8-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyGKAQBRBOSFBPQI-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide (CID 110748551) is N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide is CC1OCCN(C(=O)NCC(C)(C)C)C1C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide?
The InChIKey is GKAQBRBOSFBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-10(2)16-7-6-14(9)11(15)13-8-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide?
N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110748551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).