N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide

C22H24N2O3 — CID 125430344

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C22H24N2O3/c1-26-20-11-14-7-9-19(17(14)12-21(20)27-2)24-22(25)10-8-15-13-23-18-6-4-3-5-16(15)18/h3-6,11-13,19,23H,7-10H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyIVYBWDNBQHRZPU-IBGZPJMESA-N
MW364.45 g/mol
LogP3.92
Rot. Bonds6

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 125430344) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID125430344
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C22H24N2O3/c1-26-20-11-14-7-9-19(17(14)12-21(20)27-2)24-22(25)10-8-15-13-23-18-6-4-3-5-16(15)18/h3-6,11-13,19,23H,7-10H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyIVYBWDNBQHRZPU-IBGZPJMESA-N
XLogP3.92
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277
methyl 2-[1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate
CID 139399335
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 128963249
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
methyl (2S,3S,10bR)-1-[2-(1H-indol-3-yl)ethyl]-8,9-dimethoxy-2-(1-methylpyrrol-2-yl)-3,5,6,10b-tetrahydro-2H-imidazo[2,1-a]isoquinoline-3-carboxylate
CID 15439747
(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395844
1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-4-(1H-indol-3-yl)butan-2-one
CID 71963940
3-(1H-indol-3-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3972625

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide (CID 125430344) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide is COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is IVYBWDNBQHRZPU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-20-11-14-7-9-19(17(14)12-21(20)27-2)24-22(25)10-8-15-13-23-18-6-4-3-5-16(15)18/h3-6,11-13,19,23H,7-10H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 125430344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).