ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide

C12H21N3O2 — CID 144964737

IUPACethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
SMILESCC.CC(=O)N[C@@H](C)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2.C2H6/c1-7(13-8(2)14)10(15)4-3-9-5-11-6-12-9;1-2/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14);1-2H3/t7-;/m0./s1
InChIKeyPHWCBVULOLKXLP-FJXQXJEOSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds5

About ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide

ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide (PubChem CID 144964737) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
PubChem CID144964737
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
SMILESCC.CC(=O)N[C@@H](C)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2.C2H6/c1-7(13-8(2)14)10(15)4-3-9-5-11-6-12-9;1-2/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14);1-2H3/t7-;/m0./s1
InChIKeyPHWCBVULOLKXLP-FJXQXJEOSA-N
XLogP1.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-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

1,2-dihydroxy-5-(1H-imidazol-5-yl)pentan-3-one
CID 91011119
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
CID 90739288
4-(1H-imidazol-5-yl)-2-methylbutanoyl iodide
CID 149087090
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 82849089
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
CID 155074787

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide?
The IUPAC name of ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide (CID 144964737) is ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide?
The canonical SMILES for ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide is CC.CC(=O)N[C@@H](C)C(=O)CCc1cnc[nH]1.
What is the InChIKey of ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide?
The InChIKey is PHWCBVULOLKXLP-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15N3O2.C2H6/c1-7(13-8(2)14)10(15)4-3-9-5-11-6-12-9;1-2/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,14);1-2H3/t7-;/m0./s1.
What are the key properties of ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide?
ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide is sourced from PubChem (CID 144964737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).