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

C18H26N4O — CID 97194638

IUPAC(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)N(C)CCc1cnn(C)c1)N(C)C
InChIInChI=1S/C18H26N4O/c1-14-8-6-7-9-16(14)17(20(2)3)18(23)21(4)11-10-15-12-19-22(5)13-15/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyYOQQEGSBUQHKMD-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.03
Rot. Bonds6

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

(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 97194638) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID97194638
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)N(C)CCc1cnn(C)c1)N(C)C
InChIInChI=1S/C18H26N4O/c1-14-8-6-7-9-16(14)17(20(2)3)18(23)21(4)11-10-15-12-19-22(5)13-15/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyYOQQEGSBUQHKMD-QGZVFWFLSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
CID 97278889
(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 99926253
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 77081979
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
2-[1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 45197063
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97206840
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72907952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 97194638) is (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is Cc1ccccc1[C@H](C(=O)N(C)CCc1cnn(C)c1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is YOQQEGSBUQHKMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-8-6-7-9-16(14)17(20(2)3)18(23)21(4)11-10-15-12-19-22(5)13-15/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.03, 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-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97194638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).