2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide

C21H30N4O3 — CID 46981421

IUPAC2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
SMILESCN(C)c1ccc(CCNC(=O)CC2NC(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-24(2)16-10-8-15(9-11-16)12-13-22-19(26)14-18-20(27)25(21(28)23-18)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyBVSKIHZDODFFPH-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.05
Rot. Bonds7

About 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide

2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide (PubChem CID 46981421) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
PubChem CID46981421
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
SMILESCN(C)c1ccc(CCNC(=O)CC2NC(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-24(2)16-10-8-15(9-11-16)12-13-22-19(26)14-18-20(27)25(21(28)23-18)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyBVSKIHZDODFFPH-UHFFFAOYSA-N
XLogP2.05
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide (CID 46981421) is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide is CN(C)c1ccc(CCNC(=O)CC2NC(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The InChIKey is BVSKIHZDODFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-24(2)16-10-8-15(9-11-16)12-13-22-19(26)14-18-20(27)25(21(28)23-18)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide?
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide is sourced from PubChem (CID 46981421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).