N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide

C22H27NO5 — CID 55719612

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCOCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-26-18-9-11-20(12-10-18)28-19-7-5-17(6-8-19)23-22(24)13-15-25-16-21-4-3-14-27-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24)
InChIKeyOSWOHRGCTAEARH-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.40
Rot. Bonds10

About N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55719612) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55719612
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCOCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-26-18-9-11-20(12-10-18)28-19-7-5-17(6-8-19)23-22(24)13-15-25-16-21-4-3-14-27-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24)
InChIKeyOSWOHRGCTAEARH-UHFFFAOYSA-N
XLogP4.40
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55719612) is N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide is CCOc1ccc(Oc2ccc(NC(=O)CCOCC3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is OSWOHRGCTAEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-2-26-18-9-11-20(12-10-18)28-19-7-5-17(6-8-19)23-22(24)13-15-25-16-21-4-3-14-27-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 385.46 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55719612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).