N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide

C18H21NO4 — CID 46441939

IUPACN-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-21-11-12-23-17-9-7-16(8-10-17)19-18(20)15-5-3-14(4-6-15)13-22-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyYBANZTCBBCTQAW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.11
Rot. Bonds8

About N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide

N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide (PubChem CID 46441939) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
PubChem CID46441939
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-21-11-12-23-17-9-7-16(8-10-17)19-18(20)15-5-3-14(4-6-15)13-22-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyYBANZTCBBCTQAW-UHFFFAOYSA-N
XLogP3.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17353591
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide (CID 46441939) is N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide is COCCOc1ccc(NC(=O)c2ccc(COC)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide?
The InChIKey is YBANZTCBBCTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-11-12-23-17-9-7-16(8-10-17)19-18(20)15-5-3-14(4-6-15)13-22-2/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide?
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 46441939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).