N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide

C14H20N2O2 — CID 114823482

IUPACN-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(CN)c2ccccc2)CO1
InChIInChI=1S/C14H20N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyPNBWAKJYCKQWTR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide

N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide (PubChem CID 114823482) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
PubChem CID114823482
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(CN)c2ccccc2)CO1
InChIInChI=1S/C14H20N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyPNBWAKJYCKQWTR-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide (CID 114823482) is N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(CN)c2ccccc2)CO1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is PNBWAKJYCKQWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide?
N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).