4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide

C14H20N2O2 — CID 113280798

IUPAC4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)16-13(17)14(15)7-9-18-10-8-14/h2-6,11H,7-10,15H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeySAGWQSFCGNQOGB-LLVKDONJSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide

4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide (PubChem CID 113280798) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
PubChem CID113280798
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)16-13(17)14(15)7-9-18-10-8-14/h2-6,11H,7-10,15H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeySAGWQSFCGNQOGB-LLVKDONJSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
4-hydroxy-N-[(1R)-1-(4-phenylphenyl)ethyl]oxane-4-carboxamide
CID 99579255
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide (CID 113280798) is 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide is C[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide?
The InChIKey is SAGWQSFCGNQOGB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)16-13(17)14(15)7-9-18-10-8-14/h2-6,11H,7-10,15H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide?
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 113280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).