N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide

C21H26N2O4 — CID 1241232

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-3-26-19-15-18(23-10-12-25-13-11-23)20(27-4-2)14-17(19)22-21(24)16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,24)
InChIKeyDRUVXJMSWUSUJP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.57
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide (PubChem CID 1241232) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
PubChem CID1241232
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-3-26-19-15-18(23-10-12-25-13-11-23)20(27-4-2)14-17(19)22-21(24)16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,24)
InChIKeyDRUVXJMSWUSUJP-UHFFFAOYSA-N
XLogP3.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide (CID 1241232) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is DRUVXJMSWUSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-19-15-18(23-10-12-25-13-11-23)20(27-4-2)14-17(19)22-21(24)16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1241232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).