2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

C11H18N4O2 — CID 54153226

IUPAC2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESCCC(NC(C)=O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-10(15-8(2)16)11(17)13-5-4-9-6-12-7-14-9/h6-7,10H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyOJFFJJSLIVTIAN-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.02
Rot. Bonds6

About 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide

2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 54153226) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
PubChem CID54153226
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
SMILESCCC(NC(C)=O)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-10(15-8(2)16)11(17)13-5-4-9-6-12-7-14-9/h6-7,10H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyOJFFJJSLIVTIAN-UHFFFAOYSA-N
XLogP-0.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-acetamido-3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]phenyl] dihydrogen phosphate
CID 51002670
(2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 101442129
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
(2S)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107567139
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide (CID 54153226) is 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is CCC(NC(C)=O)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is OJFFJJSLIVTIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-10(15-8(2)16)11(17)13-5-4-9-6-12-7-14-9/h6-7,10H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide?
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 238.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 54153226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).