N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

C28H43N5O5 — CID 176976916

About N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 176976916) has the molecular formula C28H43N5O5 and a molecular weight of 529.68 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
• PubChem CID: 176976916
• Molecular Formula: C28H43N5O5
• Molecular Weight: 529.68 g/mol
• Exact Mass: 529.33
• IUPAC Name: N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
• SMILES: CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C(=O)C(C)C(C)C)c(OCCN(C)C)c1
• InChI: InChI=1S/C28H43N5O5/c1-7-33-24(10-11-29-33)20-8-9-22(26(14-20)38-13-12-31(5)6)23(17-34)30-27(36)25-15-21(35)16-32(25)28(37)19(4)18(2)3/h8-11,14,18-19,21,23,25,34-35H,7,12-13,15-17H2,1-6H3,(H,30,36)
• InChIKey: LDLCQSZOAIGNCK-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 120.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.68
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?

The IUPAC name of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 176976916) is N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is CCn1nccc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C(=O)C(C)C(C)C)c(OCCN(C)C)c1.

What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?

The InChIKey is LDLCQSZOAIGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O5/c1-7-33-24(10-11-29-33)20-8-9-22(26(14-20)38-13-12-31(5)6)23(17-34)30-27(36)25-15-21(35)16-32(25)28(37)19(4)18(2)3/h8-11,14,18-19,21,23,25,34-35H,7,12-13,15-17H2,1-6H3,(H,30,36).

What are the key properties of N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?

N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 529.68 g/mol, XLogP of 1.91, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[2-(dimethylamino)ethoxy]-4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-1-(2,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 176976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).