N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide

C21H22N2O4 — CID 125431301

IUPACN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)[nH]c2c1
InChIInChI=1S/C21H22N2O4/c1-25-14-6-4-13-8-18(22-17(13)10-14)21(24)23-16-7-5-12-9-19(26-2)20(27-3)11-15(12)16/h4,6,8-11,16,22H,5,7H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyKMGPYVQUUKYBIQ-MRXNPFEDSA-N
MW366.42 g/mol
LogP3.61
Rot. Bonds5

About N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 125431301) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID125431301
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)[nH]c2c1
InChIInChI=1S/C21H22N2O4/c1-25-14-6-4-13-8-18(22-17(13)10-14)21(24)23-16-7-5-12-9-19(26-2)20(27-3)11-15(12)16/h4,6,8-11,16,22H,5,7H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyKMGPYVQUUKYBIQ-MRXNPFEDSA-N
XLogP3.61
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125433018
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-methoxy-1H-indole-2-carboxamide
CID 46445574
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 125429621
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-methylindole-6-carboxamide
CID 128963064
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 125433415
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040108
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide (CID 125431301) is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)[nH]c2c1.
What is the InChIKey of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is KMGPYVQUUKYBIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-14-6-4-13-8-18(22-17(13)10-14)21(24)23-16-7-5-12-9-19(26-2)20(27-3)11-15(12)16/h4,6,8-11,16,22H,5,7H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide?
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 125431301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).