N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide

C19H21NO3 — CID 35273707

IUPACN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
SMILESC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C19H21NO3/c1-14(18-8-5-13-22-18)20-19(21)15-9-11-17(12-10-15)23-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyOCHGZSSXASSKEB-KSSFIOAISA-N
MW311.38 g/mol
LogP3.78
Rot. Bonds5

About N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide

N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide (PubChem CID 35273707) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
PubChem CID35273707
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
SMILESC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C19H21NO3/c1-14(18-8-5-13-22-18)20-19(21)15-9-11-17(12-10-15)23-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyOCHGZSSXASSKEB-KSSFIOAISA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46573470
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 35240794
N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
4-[(2-methylphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 75871245
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide (CID 35273707) is N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide is C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide?
The InChIKey is OCHGZSSXASSKEB-KSSFIOAISA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(18-8-5-13-22-18)20-19(21)15-9-11-17(12-10-15)23-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,20,21)/t14-,18-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide?
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 35273707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).