N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide

C22H27NO3 — CID 55744625

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-23(15-18-13-14-25-16-18)22(24)17(2)26-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3
InChIKeyUXBLFBSCANTYHU-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.01
Rot. Bonds7

About N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide

N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 55744625) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
PubChem CID55744625
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-23(15-18-13-14-25-16-18)22(24)17(2)26-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3
InChIKeyUXBLFBSCANTYHU-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-(4-phenylphenoxy)propanamide
CID 60532842
(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
CID 95621072
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030699
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide (CID 55744625) is N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide is CCN(CC1CCOC1)C(=O)C(C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is UXBLFBSCANTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-23(15-18-13-14-25-16-18)22(24)17(2)26-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide?
N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 353.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 55744625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).