[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate

C24H23N3O3 — CID 59430464

About [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate (PubChem CID 59430464) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate
• PubChem CID: 59430464
• Molecular Formula: C24H23N3O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.17
• IUPAC Name: [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate
• SMILES: C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2C2CC2)cc1)C1CC1
• InChI: InChI=1S/C24H23N3O3/c1-14(15-2-3-15)30-24(29)26-17-6-4-16(5-7-17)23-21(13-25)20-11-10-19(28)12-22(20)27(23)18-8-9-18/h4-7,10-12,14-15,18,28H,2-3,8-9H2,1H3,(H,26,29)/t14-/m1/s1
• InChIKey: SVHOOZMWLZVGKH-CQSZACIVSA-N
• XLogP: 5.57
• TPSA: 87.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate?

The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate (CID 59430464) is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2C2CC2)cc1)C1CC1.

What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate?

The InChIKey is SVHOOZMWLZVGKH-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-14(15-2-3-15)30-24(29)26-17-6-4-16(5-7-17)23-21(13-25)20-11-10-19(28)12-22(20)27(23)18-8-9-18/h4-7,10-12,14-15,18,28H,2-3,8-9H2,1H3,(H,26,29)/t14-/m1/s1.

What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate?

[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 59430464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).