N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide

C10H15N3O2 — CID 22925154

IUPACN,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c1-3-13(4-2)10(15)5-9(14)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLBLPCFRKJABSKZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.85
Rot. Bonds5

About N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide

N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide (PubChem CID 22925154) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
PubChem CID22925154
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c1-3-13(4-2)10(15)5-9(14)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLBLPCFRKJABSKZ-UHFFFAOYSA-N
XLogP0.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
3-(1H-imidazol-5-yl)-3-oxopropanamide
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CID 68977310
(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
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3-chloro-1-(1H-imidazol-5-yl)propan-1-one
CID 146026723
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
1-(1H-imidazol-5-yl)octadec-9-en-1-one
CID 54081693
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
1H-imidazole-5-carbohydrazide;hydrochloride
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N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
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CID 89326565

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide?
The IUPAC name of N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide (CID 22925154) is N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide.
What is the SMILES notation for N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide?
The canonical SMILES for N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide is CCN(CC)C(=O)CC(=O)c1cnc[nH]1.
What is the InChIKey of N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide?
The InChIKey is LBLPCFRKJABSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-13(4-2)10(15)5-9(14)8-6-11-7-12-8/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide?
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide has a molecular weight of 209.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide is sourced from PubChem (CID 22925154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).