(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

C15H27N3O2 — CID 126433620

IUPAC(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCCC(CC)(CO)CN(C)C(=O)[C@H](C)n1ccnc1C
InChIInChI=1S/C15H27N3O2/c1-6-15(7-2,11-19)10-17(5)14(20)12(3)18-9-8-16-13(18)4/h8-9,12,19H,6-7,10-11H2,1-5H3/t12-/m0/s1
InChIKeySCNYMRBIKZFHGM-LBPRGKRZSA-N
MW281.40 g/mol
LogP2.01
Rot. Bonds7

About (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126433620) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126433620
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
SMILESCCC(CC)(CO)CN(C)C(=O)[C@H](C)n1ccnc1C
InChIInChI=1S/C15H27N3O2/c1-6-15(7-2,11-19)10-17(5)14(20)12(3)18-9-8-16-13(18)4/h8-9,12,19H,6-7,10-11H2,1-5H3/t12-/m0/s1
InChIKeySCNYMRBIKZFHGM-LBPRGKRZSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124049998
(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126429175
(2S)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126438613
N-{[1-(hydroxymethyl)cyclobutyl]methyl}-3-(2-methyl-1H-imidazol-1-yl)propanamide
CID 129624974
N-(3,3-dimethylcyclobutyl)-1-ethyl-N-propan-2-ylimidazole-2-carboxamide
CID 137995275
1-[4-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136566057
1-[4-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]-2-imidazol-1-yl-4-methylpentan-1-one
CID 136566059
1-Hydroxy-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 162345480
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 53603015
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 91914897
(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]propanamide
CID 90095417

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide (CID 126433620) is (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is CCC(CC)(CO)CN(C)C(=O)[C@H](C)n1ccnc1C.
What is the InChIKey of (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is SCNYMRBIKZFHGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-15(7-2,11-19)10-17(5)14(20)12(3)18-9-8-16-13(18)4/h8-9,12,19H,6-7,10-11H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 281.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126433620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).