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

C24H24N2O3 — CID 109054096

IUPAC3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-29-22-13-6-5-10-19(22)14-15-25-23(27)20-11-7-12-21(16-20)24(28)26-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIKRLJODDLBBXOK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds8

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

3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109054096) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109054096
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-29-22-13-6-5-10-19(22)14-15-25-23(27)20-11-7-12-21(16-20)24(28)26-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIKRLJODDLBBXOK-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CID 109054096) is 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is COc1ccccc1CCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is IKRLJODDLBBXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-29-22-13-6-5-10-19(22)14-15-25-23(27)20-11-7-12-21(16-20)24(28)26-17-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).