N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C22H29ClN4O3 — CID 119526784

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119526784) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
• PubChem CID: 119526784
• Molecular Formula: C22H29ClN4O3
• Molecular Weight: 432.95 g/mol
• Exact Mass: 432.19
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
• SMILES: COc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1N1CCNC1=O.Cl
• InChI: InChI=1S/C22H28N4O3.ClH/c1-14(2)15-4-6-16(7-5-15)18(23)13-25-21(27)17-8-9-20(29-3)19(12-17)26-11-10-24-22(26)28;/h4-9,12,14,18H,10-11,13,23H2,1-3H3,(H,24,28)(H,25,27);1H
• InChIKey: DZFAAGHFOFASBJ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 96.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.95
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119526784) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is COc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1N1CCNC1=O.Cl.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?

The InChIKey is DZFAAGHFOFASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.ClH/c1-14(2)15-4-6-16(7-5-15)18(23)13-25-21(27)17-8-9-20(29-3)19(12-17)26-11-10-24-22(26)28;/h4-9,12,14,18H,10-11,13,23H2,1-3H3,(H,24,28)(H,25,27);1H.

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 432.95 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119526784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).