1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide

C22H26N2O3 — CID 51958789

IUPAC1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3CC(C)(C)Cc4oc(C)cc43)ccc21
InChIInChI=1S/C22H26N2O3/c1-13-9-17-18(11-22(3,4)12-20(17)27-13)23-21(26)16-5-6-19-15(10-16)7-8-24(19)14(2)25/h5-6,9-10,18H,7-8,11-12H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyMMABDSQKOJUPBL-SFHVURJKSA-N
MW366.46 g/mol
LogP3.94
Rot. Bonds2

About 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 51958789) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID51958789
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3CC(C)(C)Cc4oc(C)cc43)ccc21
InChIInChI=1S/C22H26N2O3/c1-13-9-17-18(11-22(3,4)12-20(17)27-13)23-21(26)16-5-6-19-15(10-16)7-8-24(19)14(2)25/h5-6,9-10,18H,7-8,11-12H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyMMABDSQKOJUPBL-SFHVURJKSA-N
XLogP3.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-methylsulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-2,3-dihydroindole-5-carboxamide
CID 55782810
1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136580054
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95620460
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 78886059
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide (CID 51958789) is 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N[C@H]3CC(C)(C)Cc4oc(C)cc43)ccc21.
What is the InChIKey of 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is MMABDSQKOJUPBL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13-9-17-18(11-22(3,4)12-20(17)27-13)23-21(26)16-5-6-19-15(10-16)7-8-24(19)14(2)25/h5-6,9-10,18H,7-8,11-12H2,1-4H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51958789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).