N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide

C12H24N2O2 — CID 115888011

IUPACN-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
SMILESCCNC(=O)C(C)(C)CNCC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-4-14-11(15)12(2,3)9-13-7-10-5-6-16-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyKRUOTXDOJJRYRJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.77
Rot. Bonds6

About N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide

N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide (PubChem CID 115888011) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
PubChem CID115888011
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
SMILESCCNC(=O)C(C)(C)CNCC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-4-14-11(15)12(2,3)9-13-7-10-5-6-16-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyKRUOTXDOJJRYRJ-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
CID 66170060
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
N-ethyl-3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109385436
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide (CID 115888011) is N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide is CCNC(=O)C(C)(C)CNCC1CCOC1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide?
The InChIKey is KRUOTXDOJJRYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14-11(15)12(2,3)9-13-7-10-5-6-16-8-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide?
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide is sourced from PubChem (CID 115888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).