4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

C22H27N3O4 — CID 109045923

IUPAC4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-29-20-6-4-3-5-19(20)24-22(27)18-9-7-17(8-10-18)21(26)23-11-12-25-13-15-28-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyZXFOTYDCXXFMLL-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.40
Rot. Bonds8

About 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109045923) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109045923
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-29-20-6-4-3-5-19(20)24-22(27)18-9-7-17(8-10-18)21(26)23-11-12-25-13-15-28-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyZXFOTYDCXXFMLL-UHFFFAOYSA-N
XLogP2.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
N-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
CID 53040738
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109154207
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109045923) is 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is CCOc1ccccc1NC(=O)c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is ZXFOTYDCXXFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-29-20-6-4-3-5-19(20)24-22(27)18-9-7-17(8-10-18)21(26)23-11-12-25-13-15-28-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).