N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C20H22N2O2 — CID 155970776

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1cc2c(c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)c1)OCC2
InChIInChI=1S/C20H22N2O2/c1-2-12-9-14-7-8-24-19(14)16(10-12)20(23)22-17-11-13-5-3-4-6-15(13)18(17)21/h3-6,9-10,17-18H,2,7-8,11,21H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyATQPHXILMCXWMN-QZTJIDSGSA-N
MW322.41 g/mol
LogP2.54
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 155970776) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID155970776
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1cc2c(c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)c1)OCC2
InChIInChI=1S/C20H22N2O2/c1-2-12-9-14-7-8-24-19(14)16(10-12)20(23)22-17-11-13-5-3-4-6-15(13)18(17)21/h3-6,9-10,17-18H,2,7-8,11,21H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyATQPHXILMCXWMN-QZTJIDSGSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
5-ethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 10058395
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72843502
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74244390
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70784279
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
CID 138011380
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 138016639
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 138011377
2-[[2-(3-ethylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 167813182

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 155970776) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CCc1cc2c(c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)c1)OCC2.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is ATQPHXILMCXWMN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-12-9-14-7-8-24-19(14)16(10-12)20(23)22-17-11-13-5-3-4-6-15(13)18(17)21/h3-6,9-10,17-18H,2,7-8,11,21H2,1H3,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-5-ethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155970776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).