[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 59425574) has the molecular formula C31H33N5O5 and a molecular weight of 555.64 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name	[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID	59425574
Molecular Formula	C31H33N5O5
Molecular Weight	555.64 g/mol
Exact Mass	555.25
IUPAC Name	[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILES	C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4C(=O)CN(C)C4=O)cc3n2C2CCC2)cc1)C1CC1
InChI	InChI=1S/C31H33N5O5/c1-19(20-6-7-20)41-30(38)33-22-10-8-21(9-11-22)29-26(17-32)25-13-12-24(16-27(25)36(29)23-4-3-5-23)40-15-14-35-28(37)18-34(2)31(35)39/h8-13,16,19-20,23H,3-7,14-15,18H2,1-2H3,(H,33,38)/t19-/m1/s1
InChIKey	FNWJJURRIXOEHZ-LJQANCHMSA-N
XLogP	5.52
TPSA	116.90 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.64
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 59425574) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN4C(=O)CN(C)C4=O)cc3n2C2CCC2)cc1)C1CC1.

What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is FNWJJURRIXOEHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C31H33N5O5/c1-19(20-6-7-20)41-30(38)33-22-10-8-21(9-11-22)29-26(17-32)25-13-12-24(16-27(25)36(29)23-4-3-5-23)40-15-14-35-28(37)18-34(2)31(35)39/h8-13,16,19-20,23H,3-7,14-15,18H2,1-2H3,(H,33,38)/t19-/m1/s1.

What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 555.64 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).