3-amino-N-(oxolan-3-yl)-2-phenylpropanamide

C13H18N2O2 — CID 80717092

IUPAC3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC1CCOC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-8-12(10-4-2-1-3-5-10)13(16)15-11-6-7-17-9-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyCRXBDURVESACQL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide

3-amino-N-(oxolan-3-yl)-2-phenylpropanamide (PubChem CID 80717092) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
PubChem CID80717092
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC1CCOC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-8-12(10-4-2-1-3-5-10)13(16)15-11-6-7-17-9-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyCRXBDURVESACQL-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(oxolan-3-yl)-2-phenylacetamide
CID 80713127
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
CID 119685133
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
CID 113364462
3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106186177
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide (CID 80717092) is 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide is NCC(C(=O)NC1CCOC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide?
The InChIKey is CRXBDURVESACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-8-12(10-4-2-1-3-5-10)13(16)15-11-6-7-17-9-11/h1-5,11-12H,6-9,14H2,(H,15,16).
What are the key properties of 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide?
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxolan-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 80717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).