methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C33H37N5O4 — CID 123373826

About methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 123373826) has the molecular formula C33H37N5O4 and a molecular weight of 567.69 g/mol. Its IUPAC name is methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• PubChem CID: 123373826
• Molecular Formula: C33H37N5O4
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.28
• IUPAC Name: methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)Nc1ccccc1CCC1CNC(c2ncc(C)[nH]2)CO1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H37N5O4/c1-22-19-35-31(36-22)28-21-42-26(20-34-28)18-17-23-11-9-10-16-27(23)37-32(39)30(38-33(40)41-2)29(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-16,19,26,28-30,34H,17-18,20-21H2,1-2H3,(H,35,36)(H,37,39)(H,38,40)
• InChIKey: ZMCGTKASXNZJNB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 117.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 123373826) is methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is COC(=O)NC(C(=O)Nc1ccccc1CCC1CNC(c2ncc(C)[nH]2)CO1)C(c1ccccc1)c1ccccc1.

What is the InChIKey of methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The InChIKey is ZMCGTKASXNZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O4/c1-22-19-35-31(36-22)28-21-42-26(20-34-28)18-17-23-11-9-10-16-27(23)37-32(39)30(38-33(40)41-2)29(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-16,19,26,28-30,34H,17-18,20-21H2,1-2H3,(H,35,36)(H,37,39)(H,38,40).

What are the key properties of methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 567.69 g/mol, XLogP of 4.88, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[2-[5-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 123373826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).