N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide

C17H27N3O2 — CID 71993490

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide
SMILESCCOC1CC(NC(=O)CCCn2ccnc2)C12CCCC2
InChIInChI=1S/C17H27N3O2/c1-2-22-15-12-14(17(15)7-3-4-8-17)19-16(21)6-5-10-20-11-9-18-13-20/h9,11,13-15H,2-8,10,12H2,1H3,(H,19,21)
InChIKeySRWBAWAPKQDUMF-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.52
Rot. Bonds7

About N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide (PubChem CID 71993490) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide
PubChem CID71993490
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide
SMILESCCOC1CC(NC(=O)CCCn2ccnc2)C12CCCC2
InChIInChI=1S/C17H27N3O2/c1-2-22-15-12-14(17(15)7-3-4-8-17)19-16(21)6-5-10-20-11-9-18-13-20/h9,11,13-15H,2-8,10,12H2,1H3,(H,19,21)
InChIKeySRWBAWAPKQDUMF-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide 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[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide (CID 71993490) is N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide is CCOC1CC(NC(=O)CCCn2ccnc2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide?
The InChIKey is SRWBAWAPKQDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-22-15-12-14(17(15)7-3-4-8-17)19-16(21)6-5-10-20-11-9-18-13-20/h9,11,13-15H,2-8,10,12H2,1H3,(H,19,21).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 71993490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).