4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

C22H27NO5 — CID 17112691

IUPAC4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-25-14-15-27-19-9-5-17(6-10-19)22(24)23-18-7-11-20(12-8-18)28-16-21-4-3-13-26-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24)
InChIKeyKTHKHTVQAWDNNH-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.91
Rot. Bonds10

About 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 17112691) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID17112691
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-2-25-14-15-27-19-9-5-17(6-10-19)22(24)23-18-7-11-20(12-8-18)28-16-21-4-3-13-26-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24)
InChIKeyKTHKHTVQAWDNNH-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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

4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 17112691) is 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is CCOCCOc1ccc(C(=O)Nc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KTHKHTVQAWDNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-2-25-14-15-27-19-9-5-17(6-10-19)22(24)23-18-7-11-20(12-8-18)28-16-21-4-3-13-26-21/h5-12,21H,2-4,13-16H2,1H3,(H,23,24).
What are the key properties of 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 17112691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).