2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide

C13H23N3O2 — CID 63001421

IUPAC2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
SMILESCCOCC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-5-18-9-12(17)15-11(13(2,3)4)8-16-7-6-14-10-16/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyVVBMPNGSYJAIED-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.45
Rot. Bonds6

About 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide

2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide (PubChem CID 63001421) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
PubChem CID63001421
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
SMILESCCOCC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-5-18-9-12(17)15-11(13(2,3)4)8-16-7-6-14-10-16/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyVVBMPNGSYJAIED-UHFFFAOYSA-N
XLogP1.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide (CID 63001421) is 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide is CCOCC(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The InChIKey is VVBMPNGSYJAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-18-9-12(17)15-11(13(2,3)4)8-16-7-6-14-10-16/h6-7,10-11H,5,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 63001421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).