(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide

C11H19N3O2 — CID 126440316

IUPAC(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-16-9(2)11(15)14-6-4-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyHZAHPXDDAHQLCG-VIFPVBQESA-N
MW225.29 g/mol
LogP0.88
Rot. Bonds7

About (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide

(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide (PubChem CID 126440316) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide
PubChem CID126440316
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-16-9(2)11(15)14-6-4-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyHZAHPXDDAHQLCG-VIFPVBQESA-N
XLogP0.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-2-yl)-1-[(2-methoxyethoxy)acetyl]piperidine
CID 70732754
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
(4aR,7aS)-6-(1H-imidazol-2-ylmethyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775105
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
(4aR,7aS)-6-(1H-imidazol-2-ylmethyl)-4-propan-2-yl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775067
2-ethoxy-N-(3-imidazolylpropyl)acetamide
CID 4122977
1-(1H-imidazol-2-ylmethyl)-4-(methoxyacetyl)-1,4-diazepane
CID 50952666
N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 56749755
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-propoxyacetamide
CID 71883562
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-methoxybutanamide
CID 91761842
2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-4-(methylthio)butanamide
CID 91763602
2-ethoxy-N-[1-(1H-imidazol-1-ylmethyl)propyl]-2-methylpropanamide
CID 91791052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide (CID 126440316) is (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide is CCO[C@@H](C)C(=O)NCCCc1ncc[nH]1.
What is the InChIKey of (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide?
The InChIKey is HZAHPXDDAHQLCG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-9(2)11(15)14-6-4-5-10-12-7-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide?
(2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 126440316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).