2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide

C13H23N3O2 — CID 91791052

IUPAC2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide
SMILESCCOC(C)(C)C(=O)NC(CC)Cn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-5-11(9-16-8-7-14-10-16)15-12(17)13(3,4)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyJYVKOACZSUQSMS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.59
Rot. Bonds7

About 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide

2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide (PubChem CID 91791052) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide
PubChem CID91791052
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide
SMILESCCOC(C)(C)C(=O)NC(CC)Cn1ccnc1
InChIInChI=1S/C13H23N3O2/c1-5-11(9-16-8-7-14-10-16)15-12(17)13(3,4)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyJYVKOACZSUQSMS-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53504539
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
2-ethoxy-N-(3-imidazolylpropyl)acetamide
CID 4122977
N-(2-imidazol-1-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 53522877
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
CID 71883562
3-[{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino]-N-methylbutanamide
CID 77085447
N-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 77086954

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide (CID 91791052) is 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide is CCOC(C)(C)C(=O)NC(CC)Cn1ccnc1.
What is the InChIKey of 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide?
The InChIKey is JYVKOACZSUQSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-11(9-16-8-7-14-10-16)15-12(17)13(3,4)18-6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,15,17).
What are the key properties of 2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide?
2-ethoxy-N-(1-imidazol-1-ylbutan-2-yl)-2-methylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.59, 7 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-ylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 91791052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).