propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate

C29H35N5O3 — CID 70825578

IUPACpropan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCCn1ccnc1CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H35N5O3/c1-4-33-16-15-31-26(33)14-17-36-23-12-13-24-25(18-23)34(22-6-5-7-22)28(27(24)30)20-8-10-21(11-9-20)32-29(35)37-19(2)3/h8-13,15-16,18-19,22H,4-7,14,17,30H2,1-3H3,(H,32,35)
InChIKeyGBXSQXCRTUHYGR-UHFFFAOYSA-N
MW501.63 g/mol
LogP6.41
Rot. Bonds9

About propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 70825578) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID70825578
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Namepropan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCCn1ccnc1CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H35N5O3/c1-4-33-16-15-31-26(33)14-17-36-23-12-13-24-25(18-23)34(22-6-5-7-22)28(27(24)30)20-8-10-21(11-9-20)32-29(35)37-19(2)3/h8-13,15-16,18-19,22H,4-7,14,17,30H2,1-3H3,(H,32,35)
InChIKeyGBXSQXCRTUHYGR-UHFFFAOYSA-N
XLogP6.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 70825578) is propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate is CCn1ccnc1CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is GBXSQXCRTUHYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-4-33-16-15-31-26(33)14-17-36-23-12-13-24-25(18-23)34(22-6-5-7-22)28(27(24)30)20-8-10-21(11-9-20)32-29(35)37-19(2)3/h8-13,15-16,18-19,22H,4-7,14,17,30H2,1-3H3,(H,32,35).
What are the key properties of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 501.63 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70825578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).