N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide

C29H36N4O3 — CID 58906651

IUPACN-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1
InChIInChI=1S/C29H36N4O3/c1-3-31(22(2)34)26-17-18-30(21-26)23-9-11-24(12-10-23)32-19-20-33(29(32)35)25-13-15-28(16-14-25)36-27-7-5-4-6-8-27/h4-8,13-16,19-20,23-24,26H,3,9-12,17-18,21H2,1-2H3
InChIKeyUWKNDQWIUBUAIG-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.86
Rot. Bonds7

About N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide (PubChem CID 58906651) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
PubChem CID58906651
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1
InChIInChI=1S/C29H36N4O3/c1-3-31(22(2)34)26-17-18-30(21-26)23-9-11-24(12-10-23)32-19-20-33(29(32)35)25-13-15-28(16-14-25)36-27-7-5-4-6-8-27/h4-8,13-16,19-20,23-24,26H,3,9-12,17-18,21H2,1-2H3
InChIKeyUWKNDQWIUBUAIG-UHFFFAOYSA-N
XLogP4.86
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide (CID 58906651) is N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1.
What is the InChIKey of N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The InChIKey is UWKNDQWIUBUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-3-31(22(2)34)26-17-18-30(21-26)23-9-11-24(12-10-23)32-19-20-33(29(32)35)25-13-15-28(16-14-25)36-27-7-5-4-6-8-27/h4-8,13-16,19-20,23-24,26H,3,9-12,17-18,21H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).