2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide

C12H21N3O2 — CID 122562332

IUPAC2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
SMILESCCOC(C)(C)C(=O)NCCc1nccn1C
InChIInChI=1S/C12H21N3O2/c1-5-17-12(2,3)11(16)14-7-6-10-13-8-9-15(10)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyZTLFIVQQCLFJHD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.89
Rot. Bonds6

About 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide

2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide (PubChem CID 122562332) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
PubChem CID122562332
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
SMILESCCOC(C)(C)C(=O)NCCc1nccn1C
InChIInChI=1S/C12H21N3O2/c1-5-17-12(2,3)11(16)14-7-6-10-13-8-9-15(10)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyZTLFIVQQCLFJHD-UHFFFAOYSA-N
XLogP0.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclopropylmethoxy)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 56802159
[2-Methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268296
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
1-[6-[(Dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
[2-Methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740290
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
1-(2-methoxyethyl)-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49670915
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 75367219
2-ethoxy-N-(3-imidazolylpropyl)acetamide
CID 4122977
2,2-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]propanamide
CID 49620009
1-(1H-imidazol-2-ylmethyl)-4-(methoxyacetyl)-1,4-diazepane
CID 50952666
N-(2-imidazol-1-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 53522877

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide (CID 122562332) is 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide is CCOC(C)(C)C(=O)NCCc1nccn1C.
What is the InChIKey of 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
The InChIKey is ZTLFIVQQCLFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-17-12(2,3)11(16)14-7-6-10-13-8-9-15(10)4/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide?
2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 122562332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).