4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide

C20H25NO3 — CID 892217

IUPAC4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)20(22)17-9-7-16(8-10-17)15-24-19-13-11-18(12-14-19)23-6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyFOUXDMSQCFELCX-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.15
Rot. Bonds8

About 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide

4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide (PubChem CID 892217) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
PubChem CID892217
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)20(22)17-9-7-16(8-10-17)15-24-19-13-11-18(12-14-19)23-6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyFOUXDMSQCFELCX-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Snc 80
CID 123924
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N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
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N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(4-methoxyphenethyl)benzamide
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N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
GT-0198
CID 71584823
A-349821 free base
CID 9954017
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide (CID 892217) is 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide is CCOc1ccc(OCc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide?
The InChIKey is FOUXDMSQCFELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-21(5-2)20(22)17-9-7-16(8-10-17)15-24-19-13-11-18(12-14-19)23-6-3/h7-14H,4-6,15H2,1-3H3.
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide?
4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 892217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).