cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

C27H31N3O5 — CID 70666857

About cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 70666857) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 70666857
• Molecular Formula: C27H31N3O5
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.23
• IUPAC Name: cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
• SMILES: Nc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2cc(OCC3COCO3)ccc12
• InChI: InChI=1S/C27H31N3O5/c28-25-23-11-10-21(33-15-22-14-32-16-35-22)12-24(23)30(20-2-1-3-20)26(25)18-6-8-19(9-7-18)29-27(31)34-13-17-4-5-17/h6-12,17,20,22H,1-5,13-16,28H2,(H,29,31)
• InChIKey: GMQVOLOMBZUWSZ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 70666857) is cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is Nc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2cc(OCC3COCO3)ccc12.

What is the InChIKey of cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is GMQVOLOMBZUWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c28-25-23-11-10-21(33-15-22-14-32-16-35-22)12-24(23)30(20-2-1-3-20)26(25)18-6-8-19(9-7-18)29-27(31)34-13-17-4-5-17/h6-12,17,20,22H,1-5,13-16,28H2,(H,29,31).

What are the key properties of cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 477.56 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70666857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).