2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

C17H28N4O — CID 72935029

IUPAC2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CC1CCC1
InChIInChI=1S/C17H28N4O/c1-12(2)15-9-21(8-14-7-18-11-19-14)10-16(15)20-17(22)6-13-4-3-5-13/h7,11-13,15-16H,3-6,8-10H2,1-2H3,(H,18,19)(H,20,22)/t15-,16+/m1/s1
InChIKeyXJXCKKXHSDTGPS-CVEARBPZSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds6

About 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72935029) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72935029
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CC1CCC1
InChIInChI=1S/C17H28N4O/c1-12(2)15-9-21(8-14-7-18-11-19-14)10-16(15)20-17(22)6-13-4-3-5-13/h7,11-13,15-16H,3-6,8-10H2,1-2H3,(H,18,19)(H,20,22)/t15-,16+/m1/s1
InChIKeyXJXCKKXHSDTGPS-CVEARBPZSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72935029) is 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(C)[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is XJXCKKXHSDTGPS-CVEARBPZSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)15-9-21(8-14-7-18-11-19-14)10-16(15)20-17(22)6-13-4-3-5-13/h7,11-13,15-16H,3-6,8-10H2,1-2H3,(H,18,19)(H,20,22)/t15-,16+/m1/s1.
What are the key properties of 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72935029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).