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

C30H39N3O5 — CID 70859006

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

2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 70859006) has the molecular formula C30H39N3O5 and a molecular weight of 521.66 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 70859006
• Molecular Formula: C30H39N3O5
• Molecular Weight: 521.66 g/mol
• Exact Mass: 521.29
• IUPAC Name: 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)C(OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C(C)C
• InChI: InChI=1S/C30H39N3O5/c1-18(2)29(19(3)4)38-30(34)32-21-10-8-20(9-11-21)28-27(31)24-13-12-23(37-17-26-35-14-15-36-26)16-25(24)33(28)22-6-5-7-22/h8-13,16,18-19,22,26,29H,5-7,14-15,17,31H2,1-4H3,(H,32,34)
• InChIKey: UQTLMYQENYRNDE-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 70859006) is 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)C(OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C(C)C.

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

The InChIKey is UQTLMYQENYRNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O5/c1-18(2)29(19(3)4)38-30(34)32-21-10-8-20(9-11-21)28-27(31)24-13-12-23(37-17-26-35-14-15-36-26)16-25(24)33(28)22-6-5-7-22/h8-13,16,18-19,22,26,29H,5-7,14-15,17,31H2,1-4H3,(H,32,34).

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

2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 521.66 g/mol, XLogP of 6.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70859006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).