2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C16H28N4O3 — CID 72850748

IUPAC2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCOCCn1ccnc1CN1C[C@H](NC(=O)CO)[C@@H](C(C)C)C1
InChIInChI=1S/C16H28N4O3/c1-12(2)13-8-19(9-14(13)18-16(22)11-21)10-15-17-4-5-20(15)6-7-23-3/h4-5,12-14,21H,6-11H2,1-3H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyUECYSSKGDTZTEX-KGLIPLIRSA-N
MW324.43 g/mol
LogP0.09
Rot. Bonds8

About 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72850748) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72850748
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCOCCn1ccnc1CN1C[C@H](NC(=O)CO)[C@@H](C(C)C)C1
InChIInChI=1S/C16H28N4O3/c1-12(2)13-8-19(9-14(13)18-16(22)11-21)10-15-17-4-5-20(15)6-7-23-3/h4-5,12-14,21H,6-11H2,1-3H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyUECYSSKGDTZTEX-KGLIPLIRSA-N
XLogP0.09
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72850748) is 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is COCCn1ccnc1CN1C[C@H](NC(=O)CO)[C@@H](C(C)C)C1.
What is the InChIKey of 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is UECYSSKGDTZTEX-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(2)13-8-19(9-14(13)18-16(22)11-21)10-15-17-4-5-20(15)6-7-23-3/h4-5,12-14,21H,6-11H2,1-3H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72850748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).