[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C27H22N2O7 — CID 42969814

IUPAC[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)cc2)cc1
InChIInChI=1S/C27H22N2O7/c1-2-34-20-13-11-19(12-14-20)29-26(32)17-7-9-18(10-8-17)28-25(31)16-35-27(33)24-15-22(30)21-5-3-4-6-23(21)36-24/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyPNUFZSPDMMWACU-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.24
Rot. Bonds8

About [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 42969814) has the molecular formula C27H22N2O7 and a molecular weight of 486.48 g/mol. Its IUPAC name is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID42969814
Molecular FormulaC27H22N2O7
Molecular Weight486.48 g/mol
Exact Mass486.14
IUPAC Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)cc2)cc1
InChIInChI=1S/C27H22N2O7/c1-2-34-20-13-11-19(12-14-20)29-26(32)17-7-9-18(10-8-17)28-25(31)16-35-27(33)24-15-22(30)21-5-3-4-6-23(21)36-24/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyPNUFZSPDMMWACU-UHFFFAOYSA-N
XLogP4.24
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
CID 3042361

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 42969814) is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate is CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)cc2)cc1.
What is the InChIKey of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is PNUFZSPDMMWACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O7/c1-2-34-20-13-11-19(12-14-20)29-26(32)17-7-9-18(10-8-17)28-25(31)16-35-27(33)24-15-22(30)21-5-3-4-6-23(21)36-24/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 486.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 42969814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).