N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide

C27H24N2O4 — CID 26192057

IUPACN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1
InChIInChI=1S/C27H24N2O4/c1-17-12-14-20(15-13-17)28-23(30)16-29(3)27(32)22-11-7-10-21-24(31)18(2)25(33-26(21)22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,28,30)
InChIKeyVXRIJFBUUXWQEL-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.79
Rot. Bonds5

About N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide

N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 26192057) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID26192057
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC NameN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1
InChIInChI=1S/C27H24N2O4/c1-17-12-14-20(15-13-17)28-23(30)16-29(3)27(32)22-11-7-10-21-24(31)18(2)25(33-26(21)22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,28,30)
InChIKeyVXRIJFBUUXWQEL-UHFFFAOYSA-N
XLogP4.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 27829025
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N-(furan-2-ylmethyl)-N,3-dimethyl-4-oxo-2-phenylchromene-8-carboxamide
CID 17450820
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505437
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505534
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 167935390
N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide
CID 13476713
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide (CID 26192057) is N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1.
What is the InChIKey of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is VXRIJFBUUXWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-17-12-14-20(15-13-17)28-23(30)16-29(3)27(32)22-11-7-10-21-24(31)18(2)25(33-26(21)22)19-8-5-4-6-9-19/h4-15H,16H2,1-3H3,(H,28,30).
What are the key properties of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide?
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 26192057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).