3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide

C22H29NO8 — CID 131887821

IUPAC3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
SMILESCOCCOCOc1ccc(C(=O)NOCc2ccccc2)cc1OCOCCOC
InChIInChI=1S/C22H29NO8/c1-25-10-12-27-16-29-20-9-8-19(14-21(20)30-17-28-13-11-26-2)22(24)23-31-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,23,24)
InChIKeyIWFGCXDASBCSDI-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.55
Rot. Bonds16

About 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide

3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide (PubChem CID 131887821) has the molecular formula C22H29NO8 and a molecular weight of 435.47 g/mol. Its IUPAC name is 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
PubChem CID131887821
Molecular FormulaC22H29NO8
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
SMILESCOCCOCOc1ccc(C(=O)NOCc2ccccc2)cc1OCOCCOC
InChIInChI=1S/C22H29NO8/c1-25-10-12-27-16-29-20-9-8-19(14-21(20)30-17-28-13-11-26-2)22(24)23-31-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,23,24)
InChIKeyIWFGCXDASBCSDI-UHFFFAOYSA-N
XLogP2.55
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
CID 55338649
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
4-bromo-N-phenylmethoxybenzamide
CID 41450559
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide?
The IUPAC name of 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide (CID 131887821) is 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide.
What is the SMILES notation for 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide?
The canonical SMILES for 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide is COCCOCOc1ccc(C(=O)NOCc2ccccc2)cc1OCOCCOC.
What is the InChIKey of 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide?
The InChIKey is IWFGCXDASBCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO8/c1-25-10-12-27-16-29-20-9-8-19(14-21(20)30-17-28-13-11-26-2)22(24)23-31-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,23,24).
What are the key properties of 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide?
3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide has a molecular weight of 435.47 g/mol, XLogP of 2.55, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide is sourced from PubChem (CID 131887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).