N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide

C24H28N2O3 — CID 125429552

IUPACN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)CCCc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C24H28N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)7-6-10-24(27)25-20-12-11-16-13-22(28-2)23(29-3)14-19(16)20/h4-5,8-9,13-15,20H,6-7,10-12H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyCXFQXFYAVAGZND-HXUWFJFHSA-N
MW392.50 g/mol
LogP4.32
Rot. Bonds7

About N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 125429552) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
PubChem CID125429552
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)CCCc1cn(C)c3ccccc13)CC2
InChIInChI=1S/C24H28N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)7-6-10-24(27)25-20-12-11-16-13-22(28-2)23(29-3)14-19(16)20/h4-5,8-9,13-15,20H,6-7,10-12H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyCXFQXFYAVAGZND-HXUWFJFHSA-N
XLogP4.32
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide (CID 125429552) is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide is COc1cc2c(cc1OC)[C@H](NC(=O)CCCc1cn(C)c3ccccc13)CC2.
What is the InChIKey of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is CXFQXFYAVAGZND-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)7-6-10-24(27)25-20-12-11-16-13-22(28-2)23(29-3)14-19(16)20/h4-5,8-9,13-15,20H,6-7,10-12H2,1-3H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide?
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 392.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 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]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 125429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).