N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide

C27H28N2O4 — CID 138660843

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC23C(=O)C4=C(N)CCC=C4C2(O)Oc2cc(C(C)C)ccc23)c1
InChIInChI=1S/C27H28N2O4/c1-14(2)17-8-9-19-22(13-17)33-27(32)20-6-5-7-21(28)23(20)24(30)26(19,27)29-25(31)18-11-15(3)10-16(4)12-18/h6,8-14,32H,5,7,28H2,1-4H3,(H,29,31)
InChIKeyBVXSOCBPKHHQSY-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.65
Rot. Bonds3

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide (PubChem CID 138660843) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
PubChem CID138660843
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC23C(=O)C4=C(N)CCC=C4C2(O)Oc2cc(C(C)C)ccc23)c1
InChIInChI=1S/C27H28N2O4/c1-14(2)17-8-9-19-22(13-17)33-27(32)20-6-5-7-21(28)23(20)24(30)26(19,27)29-25(31)18-11-15(3)10-16(4)12-18/h6,8-14,32H,5,7,28H2,1-4H3,(H,29,31)
InChIKeyBVXSOCBPKHHQSY-UHFFFAOYSA-N
XLogP3.65
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide with MolForge

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Related Compounds

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
CID 138661020
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-5-hydroxypyridine-3-carboxamide
CID 138662076
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
CID 138662082
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide
CID 138660577
N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide
CID 138660855
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
CID 122592610
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide
CID 122603339
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
CID 90097624
N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
CID 118531338
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-methoxybenzamide
CID 86716930
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide
CID 86717011
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide
CID 122603393

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide (CID 138660843) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC23C(=O)C4=C(N)CCC=C4C2(O)Oc2cc(C(C)C)ccc23)c1.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The InChIKey is BVXSOCBPKHHQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-14(2)17-8-9-19-22(13-17)33-27(32)20-6-5-7-21(28)23(20)24(30)26(19,27)29-25(31)18-11-15(3)10-16(4)12-18/h6,8-14,32H,5,7,28H2,1-4H3,(H,29,31).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide has a molecular weight of 444.53 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 138660843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).