N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide

C22H23N3O3 — CID 70717237

IUPACN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@@H]1c3ccccc3C[C@H]1NC(C)=O)n2C
InChIInChI=1S/C22H23N3O3/c1-13(26)23-18-11-14-6-4-5-7-17(14)21(18)24-22(27)20-12-15-10-16(28-3)8-9-19(15)25(20)2/h4-10,12,18,21H,11H2,1-3H3,(H,23,26)(H,24,27)/t18-,21-/m1/s1
InChIKeyXNBZNSXQCVEDEV-WIYYLYMNSA-N
MW377.44 g/mol
LogP2.72
Rot. Bonds4

About N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide

N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 70717237) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID70717237
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@@H]1c3ccccc3C[C@H]1NC(C)=O)n2C
InChIInChI=1S/C22H23N3O3/c1-13(26)23-18-11-14-6-4-5-7-17(14)21(18)24-22(27)20-12-15-10-16(28-3)8-9-19(15)25(20)2/h4-10,12,18,21H,11H2,1-3H3,(H,23,26)(H,24,27)/t18-,21-/m1/s1
InChIKeyXNBZNSXQCVEDEV-WIYYLYMNSA-N
XLogP2.72
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
N-(2,3-dihydro-1H-inden-2-yl)-5-methoxy-N,1-dimethylindole-2-carboxamide
CID 70756083
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide
CID 131898552
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 99946822
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
CID 70777797
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 126449791
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methoxy-1-methylindol-2-yl)methanone
CID 70721266

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide (CID 70717237) is N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N[C@@H]1c3ccccc3C[C@H]1NC(C)=O)n2C.
What is the InChIKey of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is XNBZNSXQCVEDEV-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13(26)23-18-11-14-6-4-5-7-17(14)21(18)24-22(27)20-12-15-10-16(28-3)8-9-19(15)25(20)2/h4-10,12,18,21H,11H2,1-3H3,(H,23,26)(H,24,27)/t18-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide?
N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 70717237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).