2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide

C12H24N2O2 — CID 115751437

IUPAC2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide
SMILESCC1OCCC1NCCNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-10(5-8-16-9)13-6-7-14-11(15)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyTWVJRGZCWQGOTA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide (PubChem CID 115751437) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide
PubChem CID115751437
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide
SMILESCC1OCCC1NCCNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-10(5-8-16-9)13-6-7-14-11(15)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyTWVJRGZCWQGOTA-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide (CID 115751437) is 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide is CC1OCCC1NCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide?
The InChIKey is TWVJRGZCWQGOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-10(5-8-16-9)13-6-7-14-11(15)12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 115751437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).