1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

C23H27N3O2 — CID 126835975

About 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea

1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 126835975) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
• PubChem CID: 126835975
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
• SMILES: Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C
• InChI: InChI=1S/C23H27N3O2/c1-15-8-7-11-19(22(27)26-12-5-6-13-26)21(15)25-23(28)24-20-14-17-9-3-4-10-18(17)16(20)2/h3-4,7-11,16,20H,5-6,12-14H2,1-2H3,(H2,24,25,28)/t16-,20+/m0/s1
• InChIKey: UDZCENHPWZSNFA-OXJNMPFZSA-N
• XLogP: 4.08
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The IUPAC name of 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea (CID 126835975) is 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea.

What is the SMILES notation for 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The canonical SMILES for 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C.

What is the InChIKey of 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

The InChIKey is UDZCENHPWZSNFA-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-8-7-11-19(22(27)26-12-5-6-13-26)21(15)25-23(28)24-20-14-17-9-3-4-10-18(17)16(20)2/h3-4,7-11,16,20H,5-6,12-14H2,1-2H3,(H2,24,25,28)/t16-,20+/m0/s1.

What are the key properties of 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea?

1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 377.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 126835975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).