(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide

C17H25NO4 — CID 124733637

IUPAC(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCC1(OCCO)CCOCC1)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-14(15-5-3-2-4-6-15)16(20)18-13-17(22-12-9-19)7-10-21-11-8-17/h2-6,14,19H,7-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyLILHTUOXSAXFAQ-AWEZNQCLSA-N
MW307.39 g/mol
LogP1.46
Rot. Bonds7

About (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide

(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide (PubChem CID 124733637) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
PubChem CID124733637
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCC1(OCCO)CCOCC1)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-14(15-5-3-2-4-6-15)16(20)18-13-17(22-12-9-19)7-10-21-11-8-17/h2-6,14,19H,7-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyLILHTUOXSAXFAQ-AWEZNQCLSA-N
XLogP1.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide
CID 100741381
1-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 100741820
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 167851297
3-amino-2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-phenylpropanamide
CID 119805546
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
CID 111486054
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
1-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-3-[(1S,3S)-3-methylsulfanylcyclohexyl]urea
CID 124852996

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide (CID 124733637) is (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide is C[C@H](C(=O)NCC1(OCCO)CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide?
The InChIKey is LILHTUOXSAXFAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO4/c1-14(15-5-3-2-4-6-15)16(20)18-13-17(22-12-9-19)7-10-21-11-8-17/h2-6,14,19H,7-13H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide?
(2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 124733637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).