N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide

C11H19N3O2 — CID 116624688

IUPACN-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide
SMILESCCCn1ccn(CCC(=O)NCC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-13-8-9-14(11(13)16)7-5-10(15)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,15)
InChIKeyMRQVRBRLSQOROW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.59
Rot. Bonds6

About N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide

N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide (PubChem CID 116624688) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide
PubChem CID116624688
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide
SMILESCCCn1ccn(CCC(=O)NCC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-13-8-9-14(11(13)16)7-5-10(15)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,15)
InChIKeyMRQVRBRLSQOROW-UHFFFAOYSA-N
XLogP0.59
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Dipropylcarbamoylamino)propanamide
CID 21086069
3-[[Ethenyl(propan-2-yl)carbamoyl]amino]propanamide
CID 59325207
2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide
CID 67096465
2-(1-ethyl-3-methyl-2H-imidazol-2-yl)acetamide
CID 67096526
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 89269343
1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea
CID 91518668
3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125236
N-[1-[3-(dimethylamino)propylamino]ethenyl]-N-ethylpropanamide
CID 117999969
N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide
CID 130272026
3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 134243505
N-[butyl(butylcarbamoyl)carbamoyl]-N-ethenylacetamide
CID 156088408
N-ethenyl-N-ethylacetamide;N-ethenylpropanamide
CID 161727693

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide (CID 116624688) is N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide is CCCn1ccn(CCC(=O)NCC)c1=O.
What is the InChIKey of N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The InChIKey is MRQVRBRLSQOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-13-8-9-14(11(13)16)7-5-10(15)12-4-2/h8-9H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide?
N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-oxo-3-propylimidazol-1-yl)propanamide is sourced from PubChem (CID 116624688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).