3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide

C30H30N2O5 — CID 60590384

IUPAC3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCc3cccc(OCCN4CCOCC4)c3)cccc2c1=O
InChIInChI=1S/C30H30N2O5/c1-21-27(33)25-11-6-12-26(29(25)37-28(21)23-8-3-2-4-9-23)30(34)31-20-22-7-5-10-24(19-22)36-18-15-32-13-16-35-17-14-32/h2-12,19H,13-18,20H2,1H3,(H,31,34)
InChIKeyPLRPGHUXUCVGLY-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.41
Rot. Bonds8

About 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide

3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 60590384) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID60590384
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCc3cccc(OCCN4CCOCC4)c3)cccc2c1=O
InChIInChI=1S/C30H30N2O5/c1-21-27(33)25-11-6-12-26(29(25)37-28(21)23-8-3-2-4-9-23)30(34)31-20-22-7-5-10-24(19-22)36-18-15-32-13-16-35-17-14-32/h2-12,19H,13-18,20H2,1H3,(H,31,34)
InChIKeyPLRPGHUXUCVGLY-UHFFFAOYSA-N
XLogP4.41
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 60590474
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111603441
5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60590298
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-phenoxyethyl)guanidine
CID 111004963
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111603440
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide (CID 60590384) is 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCc3cccc(OCCN4CCOCC4)c3)cccc2c1=O.
What is the InChIKey of 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is PLRPGHUXUCVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-21-27(33)25-11-6-12-26(29(25)37-28(21)23-8-3-2-4-9-23)30(34)31-20-22-7-5-10-24(19-22)36-18-15-32-13-16-35-17-14-32/h2-12,19H,13-18,20H2,1H3,(H,31,34).
What are the key properties of 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 60590384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).