2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide

C17H24N4O — CID 50955551

IUPAC2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCCn1cncc1CNC(=O)C(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C17H24N4O/c1-5-21-12-18-10-15(21)11-19-17(22)16(20(3)4)14-8-6-13(2)7-9-14/h6-10,12,16H,5,11H2,1-4H3,(H,19,22)
InChIKeyNZCIHTWZPMYLFO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.13
Rot. Bonds6

About 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide

2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 50955551) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID50955551
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCCn1cncc1CNC(=O)C(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C17H24N4O/c1-5-21-12-18-10-15(21)11-19-17(22)16(20(3)4)14-8-6-13(2)7-9-14/h6-10,12,16H,5,11H2,1-4H3,(H,19,22)
InChIKeyNZCIHTWZPMYLFO-UHFFFAOYSA-N
XLogP2.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 72844365
3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 97110651
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 72845654
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 97110124

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide (CID 50955551) is 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide is CCn1cncc1CNC(=O)C(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is NZCIHTWZPMYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-21-12-18-10-15(21)11-19-17(22)16(20(3)4)14-8-6-13(2)7-9-14/h6-10,12,16H,5,11H2,1-4H3,(H,19,22).
What are the key properties of 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 50955551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).