3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

C20H24N2O4 — CID 109052520

IUPAC3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O4/c1-25-12-11-22-20(24)17-7-4-6-16(14-17)19(23)21-10-9-15-5-3-8-18(13-15)26-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLRLALNMHQSYGEA-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.04
Rot. Bonds9

About 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109052520) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109052520
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)c1
InChIInChI=1S/C20H24N2O4/c1-25-12-11-22-20(24)17-7-4-6-16(14-17)19(23)21-10-9-15-5-3-8-18(13-15)26-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLRLALNMHQSYGEA-UHFFFAOYSA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500
N-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 107852150
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CID 109052520) is 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is LRLALNMHQSYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-12-11-22-20(24)17-7-4-6-16(14-17)19(23)21-10-9-15-5-3-8-18(13-15)26-2/h3-8,13-14H,9-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).