N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

C25H28N2O7 — CID 4614512

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C25H28N2O7/c1-4-32-21-15-19(27-9-11-31-12-10-27)22(33-5-2)14-18(21)26-24(28)17-13-16-7-6-8-20(30-3)23(16)34-25(17)29/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,26,28)
InChIKeySRFMVPCRWFTBSE-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.69
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 4614512) has the molecular formula C25H28N2O7 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID4614512
Molecular FormulaC25H28N2O7
Molecular Weight468.51 g/mol
Exact Mass468.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C25H28N2O7/c1-4-32-21-15-19(27-9-11-31-12-10-27)22(33-5-2)14-18(21)26-24(28)17-13-16-7-6-8-20(30-3)23(16)34-25(17)29/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,26,28)
InChIKeySRFMVPCRWFTBSE-UHFFFAOYSA-N
XLogP3.69
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
CID 7224115
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 4614512) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2cccc(OC)c2oc1=O.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is SRFMVPCRWFTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O7/c1-4-32-21-15-19(27-9-11-31-12-10-27)22(33-5-2)14-18(21)26-24(28)17-13-16-7-6-8-20(30-3)23(16)34-25(17)29/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,26,28).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).