4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide

C26H27NO4 — CID 172676377

IUPAC4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)OC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H27NO4/c1-16-22(25(29)27-18-8-6-5-7-9-18)23(17-10-12-19(30-4)13-11-17)24-20(28)14-26(2,3)15-21(24)31-16/h5-13,23H,14-15H2,1-4H3,(H,27,29)
InChIKeyMIDCIBPGZFJTNZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide

4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide (PubChem CID 172676377) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide
PubChem CID172676377
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)OC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H27NO4/c1-16-22(25(29)27-18-8-6-5-7-9-18)23(17-10-12-19(30-4)13-11-17)24-20(28)14-26(2,3)15-21(24)31-16/h5-13,23H,14-15H2,1-4H3,(H,27,29)
InChIKeyMIDCIBPGZFJTNZ-UHFFFAOYSA-N
XLogP5.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142904
4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23917015
2-anilino-3-benzoyl-4-(4-bromophenyl)-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
CID 50917521
12-(4-methoxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 101493789
(4S)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 996833
methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzoate
CID 3127859
3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 12996042
5-hydroxy-4-(4-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228043
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3302837
methyl (4S)-2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 1010522
2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-N-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 46949361
benzyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3092006

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide (CID 172676377) is 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)OC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide?
The InChIKey is MIDCIBPGZFJTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-16-22(25(29)27-18-8-6-5-7-9-18)23(17-10-12-19(30-4)13-11-17)24-20(28)14-26(2,3)15-21(24)31-16/h5-13,23H,14-15H2,1-4H3,(H,27,29).
What are the key properties of 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide?
4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-6,8-dihydro-4H-chromene-3-carboxamide is sourced from PubChem (CID 172676377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).