3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide

C23H29N3O3 — CID 109056323

IUPAC3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H29N3O3/c1-2-3-6-12-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-4-5-11-21(20)26-13-15-29-16-14-26/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyZXQNBRQFFRPHFE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.70
Rot. Bonds8

About 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide

3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide (PubChem CID 109056323) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
PubChem CID109056323
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H29N3O3/c1-2-3-6-12-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-4-5-11-21(20)26-13-15-29-16-14-26/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyZXQNBRQFFRPHFE-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.70
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

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide (CID 109056323) is 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide?
The InChIKey is ZXQNBRQFFRPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-3-6-12-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-4-5-11-21(20)26-13-15-29-16-14-26/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide?
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).