4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide

C20H24N2O3 — CID 109042916

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-21-19(23)16-6-8-17(9-7-16)20(24)22-14-12-15-4-10-18(25-2)11-5-15/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKQXWICGMKBGDCA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.81
Rot. Bonds8

About 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide

4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109042916) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109042916
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-21-19(23)16-6-8-17(9-7-16)20(24)22-14-12-15-4-10-18(25-2)11-5-15/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKQXWICGMKBGDCA-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-methoxy-N-pentylbenzamide
CID 3113360
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide (CID 109042916) is 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is KQXWICGMKBGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-13-21-19(23)16-6-8-17(9-7-16)20(24)22-14-12-15-4-10-18(25-2)11-5-15/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109042916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).