N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide

C13H21N3O2 — CID 167840548

IUPACN-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NOC1CCCC1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-7-8-16(13)9-12(17)15-18-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyZQCZPAXUMQQTSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds5

About N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 167840548) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID167840548
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NOC1CCCC1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-7-8-16(13)9-12(17)15-18-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyZQCZPAXUMQQTSH-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921658
2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921265
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 63918712
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 131961824

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 167840548) is N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is ZQCZPAXUMQQTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)13-14-7-8-16(13)9-12(17)15-18-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 167840548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).