2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide

C13H26N2O2 — CID 114105712

IUPAC2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide
SMILESCCC1OCCC1CNC(=O)C(N)(CC)CC
InChIInChI=1S/C13H26N2O2/c1-4-11-10(7-8-17-11)9-15-12(16)13(14,5-2)6-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyWWGXRWHBPOJBCY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide

2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide (PubChem CID 114105712) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide
PubChem CID114105712
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide
SMILESCCC1OCCC1CNC(=O)C(N)(CC)CC
InChIInChI=1S/C13H26N2O2/c1-4-11-10(7-8-17-11)9-15-12(16)13(14,5-2)6-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyWWGXRWHBPOJBCY-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
CID 114106922
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 79814450
N-(cyclopropylmethyl)-2-[(2-ethyloxolan-3-yl)methylamino]acetamide
CID 114105561
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 114105696
N-[(2-ethyloxolan-3-yl)methyl]-4-methylpiperidine-2-carboxamide
CID 114105746
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
CID 114106525
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
2-amino-2-ethyl-N-(oxolan-3-yl)butanamide
CID 80712528
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide (CID 114105712) is 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide is CCC1OCCC1CNC(=O)C(N)(CC)CC.
What is the InChIKey of 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide?
The InChIKey is WWGXRWHBPOJBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11-10(7-8-17-11)9-15-12(16)13(14,5-2)6-3/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide?
2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 114105712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).