4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide

C21H25NO5 — CID 40796712

IUPAC4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-24-13-14-26-18-8-4-16(5-9-18)21(23)22-17-6-10-19(11-7-17)27-15-20-3-2-12-25-20/h4-11,20H,2-3,12-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyNPIMVFGGTDYBOQ-HXUWFJFHSA-N
MW371.43 g/mol
LogP3.52
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide

4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide (PubChem CID 40796712) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
PubChem CID40796712
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-24-13-14-26-18-8-4-16(5-9-18)21(23)22-17-6-10-19(11-7-17)27-15-20-3-2-12-25-20/h4-11,20H,2-3,12-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyNPIMVFGGTDYBOQ-HXUWFJFHSA-N
XLogP3.52
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.52
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-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
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
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide (CID 40796712) is 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide is COCCOc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The InChIKey is NPIMVFGGTDYBOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-13-14-26-18-8-4-16(5-9-18)21(23)22-17-6-10-19(11-7-17)27-15-20-3-2-12-25-20/h4-11,20H,2-3,12-15H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide has a molecular weight of 371.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 40796712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).