(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

C18H26N4O — CID 97191747

IUPAC(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCCn1ccnc1CN(C)C(=O)[C@@H](c1ccc(C)cc1)N(C)C
InChIInChI=1S/C18H26N4O/c1-6-22-12-11-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-14(2)8-10-15/h7-12,17H,6,13H2,1-5H3/t17-/m1/s1
InChIKeyZBZXLRADKDFBCN-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds6

About (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide

(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide (PubChem CID 97191747) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
PubChem CID97191747
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCCn1ccnc1CN(C)C(=O)[C@@H](c1ccc(C)cc1)N(C)C
InChIInChI=1S/C18H26N4O/c1-6-22-12-11-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-14(2)8-10-15/h7-12,17H,6,13H2,1-5H3/t17-/m1/s1
InChIKeyZBZXLRADKDFBCN-QGZVFWFLSA-N
XLogP2.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97205674
2-(dimethylamino)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 72872351
3-[N-[(1-ethylimidazol-2-yl)methyl]-4-methylanilino]propanoic acid
CID 62736050
2-(1,3-benzodioxol-5-yl)-2-[(1-ethylimidazol-2-yl)methyl-methylamino]acetic acid
CID 72898835
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide
CID 56510165
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684
1-ethyl-2-propylimidazole;4-methylbenzenesulfonic acid
CID 175780532
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 97204748
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide (CID 97191747) is (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide is CCn1ccnc1CN(C)C(=O)[C@@H](c1ccc(C)cc1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
The InChIKey is ZBZXLRADKDFBCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-22-12-11-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-14(2)8-10-15/h7-12,17H,6,13H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide?
(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 97191747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).