(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide

C16H23NO3 — CID 167114525

IUPAC(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCOC1)[C@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-17(16(19)14-9-6-10-20-12-14)15(11-18)13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3/t14-,15+/m0/s1
InChIKeyLKBJJXZPZPZCBN-LSDHHAIUSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds5

About (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide

(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide (PubChem CID 167114525) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
PubChem CID167114525
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCOC1)[C@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-17(16(19)14-9-6-10-20-12-14)15(11-18)13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3/t14-,15+/m0/s1
InChIKeyLKBJJXZPZPZCBN-LSDHHAIUSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
oxan-3-yl(phenyl)methanone
CID 63011351
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
CID 114972015
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide (CID 167114525) is (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide is CCN(C(=O)[C@H]1CCCOC1)[C@H](CO)c1ccccc1.
What is the InChIKey of (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide?
The InChIKey is LKBJJXZPZPZCBN-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-17(16(19)14-9-6-10-20-12-14)15(11-18)13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide?
(3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-3-carboxamide is sourced from PubChem (CID 167114525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).