methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate

C19H21N3O4 — CID 60517720

About methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate (PubChem CID 60517720) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
• PubChem CID: 60517720
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
• SMILES: COC(=O)Nc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1
• InChI: InChI=1S/C19H21N3O4/c1-11-16-14(4-3-5-15(16)23)22-17(11)18(24)20-10-12-6-8-13(9-7-12)21-19(25)26-2/h6-9,22H,3-5,10H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: ZWFJGTCGIPXRFL-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 100.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate?

The IUPAC name of methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate (CID 60517720) is methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate.

What is the SMILES notation for methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate?

The canonical SMILES for methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1.

What is the InChIKey of methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate?

The InChIKey is ZWFJGTCGIPXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11-16-14(4-3-5-15(16)23)22-17(11)18(24)20-10-12-6-8-13(9-7-12)21-19(25)26-2/h6-9,22H,3-5,10H2,1-2H3,(H,20,24)(H,21,25).

What are the key properties of methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate?

methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 355.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 60517720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).