N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide

C28H26N2O6 — CID 174055483

IUPACN-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC)cc2)c(NC(=O)c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/C28H26N2O6/c1-4-17-10-12-18(13-11-17)29-27(32)20-14-25(35-5-2)24(34-3)15-21(20)30-28(33)26-16-22(31)19-8-6-7-9-23(19)36-26/h6-16H,4-5H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyMWHRQHKYHINTHW-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.27
Rot. Bonds8

About N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide

N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide (PubChem CID 174055483) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide
PubChem CID174055483
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC NameN-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(CC)cc2)c(NC(=O)c2cc(=O)c3ccccc3o2)cc1OC
InChIInChI=1S/C28H26N2O6/c1-4-17-10-12-18(13-11-17)29-27(32)20-14-25(35-5-2)24(34-3)15-21(20)30-28(33)26-16-22(31)19-8-6-7-9-23(19)36-26/h6-16H,4-5H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyMWHRQHKYHINTHW-UHFFFAOYSA-N
XLogP5.27
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-[[4-[2-(2-phenylethylamino)ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 163249168
N-[4,5-dimethoxy-2-[[4-[4-(1-methylindazol-5-yl)butyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 165086107
N-[4,5-dimethoxy-2-[[4-[2-[(1-methylindol-6-yl)methylamino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 163249013
N-[4,5-dimethoxy-2-[[4-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 169005698
N-[2-[[4-[2-[(2-imidazol-1-ylpyrimidin-5-yl)methyl-methylamino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728864
N-[2-[[4-[2-[ethyl(1H-indazol-5-ylmethyl)amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 163249163
N-[2-[[4-[2-[ethyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 169005703
N-[4,5-dimethoxy-2-[[4-[2-[methyl-[[2-methyl-5-(4-methylimidazol-1-yl)phenyl]methyl]amino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 164728924
N-[2-[[4-[2-[ethyl-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728912
N-[2-[[4-[2-[(4-imidazol-1-yl-3-methoxyphenyl)methyl-propylamino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728898
N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
CID 166216438
N-[2-[[4-[2-[1H-imidazol-2-ylmethyl-[(1-methylindazol-6-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728922

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide (CID 174055483) is N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide is CCOc1cc(C(=O)Nc2ccc(CC)cc2)c(NC(=O)c2cc(=O)c3ccccc3o2)cc1OC.
What is the InChIKey of N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is MWHRQHKYHINTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-4-17-10-12-18(13-11-17)29-27(32)20-14-25(35-5-2)24(34-3)15-21(20)30-28(33)26-16-22(31)19-8-6-7-9-23(19)36-26/h6-16H,4-5H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide?
N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 174055483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).