N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide

C12H22N2O3 — CID 134313616

IUPACN-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@H]1COC[C@H]1NC(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-9(5-2)12(16)14-11-7-17-6-10(11)13-8(3)15/h9-11H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t10-,11+/m1/s1
InChIKeyLPHZHCJQGHCJJN-MNOVXSKESA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds5

About N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide

N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide (PubChem CID 134313616) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide
PubChem CID134313616
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@H]1COC[C@H]1NC(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-9(5-2)12(16)14-11-7-17-6-10(11)13-8(3)15/h9-11H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t10-,11+/m1/s1
InChIKeyLPHZHCJQGHCJJN-MNOVXSKESA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide (CID 134313616) is N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)N[C@H]1COC[C@H]1NC(C)=O.
What is the InChIKey of N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide?
The InChIKey is LPHZHCJQGHCJJN-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9(5-2)12(16)14-11-7-17-6-10(11)13-8(3)15/h9-11H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t10-,11+/m1/s1.
What are the key properties of N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide?
N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide has a molecular weight of 242.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 134313616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).