(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C17H25N3O2 — CID 95128950

IUPAC(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCN(Cc1ccc(C)o1)C(=O)[C@H](C)n1ccnc1C(C)C
InChIInChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3/t14-/m0/s1
InChIKeyUMEQRBZFXHDXPU-AWEZNQCLSA-N
MW303.41 g/mol
LogP3.52
Rot. Bonds6

About (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 95128950) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID95128950
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCN(Cc1ccc(C)o1)C(=O)[C@H](C)n1ccnc1C(C)C
InChIInChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3/t14-/m0/s1
InChIKeyUMEQRBZFXHDXPU-AWEZNQCLSA-N
XLogP3.52
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97275416
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
N-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77089366
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 60814510
(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97186963
N-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpyrazole-5-carboxamide
CID 70736847
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
ethyl 2-propan-2-ylimidazole-1-carboxylate
CID 15557002
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72935543
1-ethyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-morpholin-4-yl-2-pyridin-2-ylethyl)urea
CID 119060016

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 95128950) is (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CCN(Cc1ccc(C)o1)C(=O)[C@H](C)n1ccnc1C(C)C.
What is the InChIKey of (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is UMEQRBZFXHDXPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-6-19(11-15-8-7-13(4)22-15)17(21)14(5)20-10-9-18-16(20)12(2)3/h7-10,12,14H,6,11H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 95128950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).