2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide

C21H24N2O4 — CID 143452474

IUPAC2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide
SMILESCOC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCc2ccccc2O1
InChIInChI=1S/C21H24N2O4/c1-25-21(11-10-16-4-2-3-5-19(16)27-21)20(24)22-17-6-8-18(9-7-17)23-12-14-26-15-13-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyKTGCERBYQLSAGG-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.83
Rot. Bonds4

About 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide

2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 143452474) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide
PubChem CID143452474
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide
SMILESCOC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCc2ccccc2O1
InChIInChI=1S/C21H24N2O4/c1-25-21(11-10-16-4-2-3-5-19(16)27-21)20(24)22-17-6-8-18(9-7-17)23-12-14-26-15-13-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyKTGCERBYQLSAGG-UHFFFAOYSA-N
XLogP2.83
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.83
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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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide
CID 43822181
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92918138
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide (CID 143452474) is 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide is COC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCc2ccccc2O1.
What is the InChIKey of 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide?
The InChIKey is KTGCERBYQLSAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-25-21(11-10-16-4-2-3-5-19(16)27-21)20(24)22-17-6-8-18(9-7-17)23-12-14-26-15-13-23/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide?
2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 143452474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).