2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide

C17H26N2O2 — CID 114929283

IUPAC2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
SMILESCC1(C)CC(NC(=O)C(N)CCc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-17(2)12-14(10-11-21-17)19-16(20)15(18)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20)
InChIKeyBYQXTDJGZLDRNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide

2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide (PubChem CID 114929283) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
PubChem CID114929283
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
SMILESCC1(C)CC(NC(=O)C(N)CCc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-17(2)12-14(10-11-21-17)19-16(20)15(18)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20)
InChIKeyBYQXTDJGZLDRNH-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide (CID 114929283) is 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide is CC1(C)CC(NC(=O)C(N)CCc2ccccc2)CCO1.
What is the InChIKey of 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide?
The InChIKey is BYQXTDJGZLDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)12-14(10-11-21-17)19-16(20)15(18)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide?
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 114929283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).