2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide

C15H22N2O2 — CID 114929264

IUPAC2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
SMILESCC1OCCC1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-14(9-10-19-11)17-15(18)13(16)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)
InChIKeyZBUQHQKSNYCYPP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.24
Rot. Bonds5

About 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide

2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide (PubChem CID 114929264) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
PubChem CID114929264
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
SMILESCC1OCCC1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-14(9-10-19-11)17-15(18)13(16)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)
InChIKeyZBUQHQKSNYCYPP-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide (CID 114929264) is 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide is CC1OCCC1NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide?
The InChIKey is ZBUQHQKSNYCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(9-10-19-11)17-15(18)13(16)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide?
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 114929264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).