N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide

C19H23NO4 — CID 46448222

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H23NO4/c1-5-24-17-11-8-15(12-18(17)23-4)13(2)20-19(21)14-6-9-16(22-3)10-7-14/h6-13H,5H2,1-4H3,(H,20,21)
InChIKeyLCHURLKZBWPYFB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 46448222) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID46448222
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H23NO4/c1-5-24-17-11-8-15(12-18(17)23-4)13(2)20-19(21)14-6-9-16(22-3)10-7-14/h6-13H,5H2,1-4H3,(H,20,21)
InChIKeyLCHURLKZBWPYFB-UHFFFAOYSA-N
XLogP3.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide (CID 46448222) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide is CCOc1ccc(C(C)NC(=O)c2ccc(OC)cc2)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is LCHURLKZBWPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-24-17-11-8-15(12-18(17)23-4)13(2)20-19(21)14-6-9-16(22-3)10-7-14/h6-13H,5H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 46448222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).