4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

C15H18N2O3 — CID 103945288

IUPAC4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)N[C@H](CO)c2ccccc2)CCOCC1
InChIInChI=1S/C15H18N2O3/c16-11-15(6-8-20-9-7-15)14(19)17-13(10-18)12-4-2-1-3-5-12/h1-5,13,18H,6-10H2,(H,17,19)/t13-/m1/s1
InChIKeyGIBVQCZYRPBETI-CYBMUJFWSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds4

About 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (PubChem CID 103945288) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
PubChem CID103945288
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)N[C@H](CO)c2ccccc2)CCOCC1
InChIInChI=1S/C15H18N2O3/c16-11-15(6-8-20-9-7-15)14(19)17-13(10-18)12-4-2-1-3-5-12/h1-5,13,18H,6-10H2,(H,17,19)/t13-/m1/s1
InChIKeyGIBVQCZYRPBETI-CYBMUJFWSA-N
XLogP1.16
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
CID 143504731
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
4-[[(4-cyanooxane-4-carbonyl)amino]methyl]benzoic acid
CID 99038411
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (CID 103945288) is 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is N#CC1(C(=O)N[C@H](CO)c2ccccc2)CCOCC1.
What is the InChIKey of 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The InChIKey is GIBVQCZYRPBETI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-15(6-8-20-9-7-15)14(19)17-13(10-18)12-4-2-1-3-5-12/h1-5,13,18H,6-10H2,(H,17,19)/t13-/m1/s1.
What are the key properties of 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 103945288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).