(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide

C14H17N3O2 — CID 99949568

IUPAC(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1ncc(C)[nH]1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-8-15-12(17-10)9-16-14(18)13(19-2)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,15,17)(H,16,18)/t13-/m0/s1
InChIKeyPKEDKKABIGNROY-ZDUSSCGKSA-N
MW259.31 g/mol
LogP1.72
Rot. Bonds5

About (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide

(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 99949568) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
PubChem CID99949568
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCc1ncc(C)[nH]1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-8-15-12(17-10)9-16-14(18)13(19-2)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,15,17)(H,16,18)/t13-/m0/s1
InChIKeyPKEDKKABIGNROY-ZDUSSCGKSA-N
XLogP1.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide 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

(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 136728323
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
2-methoxy-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672586
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2-amino-2-hydroxyiminoethyl)-2-methoxy-2-phenylacetamide
CID 76934963
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
(2R)-2-methoxy-2-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]acetamide
CID 100680507
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide (CID 99949568) is (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide is CO[C@H](C(=O)NCc1ncc(C)[nH]1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is PKEDKKABIGNROY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-15-12(17-10)9-16-14(18)13(19-2)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,15,17)(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 99949568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).