2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide

C13H24N4O — CID 57084211

IUPAC2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide
SMILESC=CCN1C=CN(CNC(=O)CN(CC)CC)C1
InChIInChI=1S/C13H24N4O/c1-4-7-16-8-9-17(12-16)11-14-13(18)10-15(5-2)6-3/h4,8-9H,1,5-7,10-12H2,2-3H3,(H,14,18)
InChIKeySMSCAVHUWNAEOS-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.63
Rot. Bonds8

About 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide

2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide (PubChem CID 57084211) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide
PubChem CID57084211
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide
SMILESC=CCN1C=CN(CNC(=O)CN(CC)CC)C1
InChIInChI=1S/C13H24N4O/c1-4-7-16-8-9-17(12-16)11-14-13(18)10-15(5-2)6-3/h4,8-9H,1,5-7,10-12H2,2-3H3,(H,14,18)
InChIKeySMSCAVHUWNAEOS-UHFFFAOYSA-N
XLogP0.63
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]acetamide
CID 21315965
2-(diethylamino)-N-[(3-methyl-2H-imidazol-1-yl)methyl]acetamide
CID 57165918
1,3-Bis(3-aminoprop-2-enyl)imidazolidine-2,4-dione
CID 68149643
1-(3-Aminoprop-2-enyl)imidazolidine-2,4-dione
CID 68571828
1-[(E)-3-aminoprop-2-enyl]imidazolidine-2,4-dione
CID 69791106
1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione
CID 141095674
3-methyl-2,6-dihydro-1H-pyrimidine-2-carboxamide
CID 141358739
2-[[1,3-dimethyl-2,4-dioxo-6-[[(Z)-prop-1-enyl]amino]pyrimidin-5-yl]amino]acetamide
CID 148454881
3-[3-(Dibutylamino)prop-2-enyl]imidazolidine-2,4-dione
CID 173603599
1-[3-(Dibutylamino)prop-2-enyl]imidazolidine-2,4-dione
CID 173603619
2-[[1,3-dimethyl-2-methylidene-4-oxo-6-[[(Z)-prop-1-enyl]amino]pyrimidin-5-yl]amino]acetamide
CID 173758923
2-amino-1-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride
CID 175440490

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide (CID 57084211) is 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide is C=CCN1C=CN(CNC(=O)CN(CC)CC)C1.
What is the InChIKey of 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide?
The InChIKey is SMSCAVHUWNAEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-16-8-9-17(12-16)11-14-13(18)10-15(5-2)6-3/h4,8-9H,1,5-7,10-12H2,2-3H3,(H,14,18).
What are the key properties of 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide?
2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide is sourced from PubChem (CID 57084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).