N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide

C21H29N3O3 — CID 102559811

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2
InChIInChI=1S/C21H29N3O3/c1-4-27-18-13-17(21(18)9-6-10-21)23(3)19(25)15-7-5-8-16(14(15)2)24-12-11-22-20(24)26/h5,7-8,17-18H,4,6,9-13H2,1-3H3,(H,22,26)
InChIKeyDIDMEZDEPQLWBX-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.94
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 102559811) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID102559811
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2
InChIInChI=1S/C21H29N3O3/c1-4-27-18-13-17(21(18)9-6-10-21)23(3)19(25)15-7-5-8-16(14(15)2)24-12-11-22-20(24)26/h5,7-8,17-18H,4,6,9-13H2,1-3H3,(H,22,26)
InChIKeyDIDMEZDEPQLWBX-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 102559811) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide is CCOC1CC(N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is DIDMEZDEPQLWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-27-18-13-17(21(18)9-6-10-21)23(3)19(25)15-7-5-8-16(14(15)2)24-12-11-22-20(24)26/h5,7-8,17-18H,4,6,9-13H2,1-3H3,(H,22,26).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 371.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 102559811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).