(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide

C18H26N4O — CID 97205674

IUPAC(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
SMILESCCn1ccnc1CN(C)C(=O)[C@H](c1cccc(C)c1)N(C)C
InChIInChI=1S/C18H26N4O/c1-6-22-11-10-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-8-14(2)12-15/h7-12,17H,6,13H2,1-5H3/t17-/m0/s1
InChIKeyMAAXHOVKSBZAIQ-KRWDZBQOSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide (PubChem CID 97205674) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
PubChem CID97205674
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
SMILESCCn1ccnc1CN(C)C(=O)[C@H](c1cccc(C)c1)N(C)C
InChIInChI=1S/C18H26N4O/c1-6-22-11-10-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-8-14(2)12-15/h7-12,17H,6,13H2,1-5H3/t17-/m0/s1
InChIKeyMAAXHOVKSBZAIQ-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide (CID 97205674) is (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide is CCn1ccnc1CN(C)C(=O)[C@H](c1cccc(C)c1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide?
The InChIKey is MAAXHOVKSBZAIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-22-11-10-19-16(22)13-21(5)18(23)17(20(3)4)15-9-7-8-14(2)12-15/h7-12,17H,6,13H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-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 (2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 97205674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).