N-(2-amino-1-phenylethyl)oxolane-2-carboxamide

C13H18N2O2 — CID 55242926

IUPACN-(2-amino-1-phenylethyl)oxolane-2-carboxamide
SMILESNCC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)
InChIKeyIRNCLRNQZBJYAK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About N-(2-amino-1-phenylethyl)oxolane-2-carboxamide

N-(2-amino-1-phenylethyl)oxolane-2-carboxamide (PubChem CID 55242926) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)oxolane-2-carboxamide
PubChem CID55242926
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-amino-1-phenylethyl)oxolane-2-carboxamide
SMILESNCC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)
InChIKeyIRNCLRNQZBJYAK-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(2-amino-1-phenylethyl)-5-methyloxolane-2-carboxamide
CID 81327038
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
(3R)-3-(3-bromophenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 124704259
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
CID 114823482
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)oxolane-2-carboxamide (CID 55242926) is N-(2-amino-1-phenylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)oxolane-2-carboxamide is NCC(NC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)oxolane-2-carboxamide?
The InChIKey is IRNCLRNQZBJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16).
What are the key properties of N-(2-amino-1-phenylethyl)oxolane-2-carboxamide?
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 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)oxolane-2-carboxamide is sourced from PubChem (CID 55242926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).