(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide

C20H30N4O — CID 95130797

IUPAC(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCCn1nc(C)c(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C
InChIInChI=1S/C20H30N4O/c1-7-24-16(4)18(15(3)22-24)11-12-21-20(25)19(23(5)6)17-10-8-9-14(2)13-17/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,25)/t19-/m1/s1
InChIKeyFWILBACIGNHMEW-LJQANCHMSA-N
MW342.49 g/mol
LogP2.79
Rot. Bonds7

About (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide

(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 95130797) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID95130797
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
SMILESCCn1nc(C)c(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C
InChIInChI=1S/C20H30N4O/c1-7-24-16(4)18(15(3)22-24)11-12-21-20(25)19(23(5)6)17-10-8-9-14(2)13-17/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,25)/t19-/m1/s1
InChIKeyFWILBACIGNHMEW-LJQANCHMSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
CID 20963995
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
CID 97131699
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
CID 20964016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide (CID 95130797) is (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide is CCn1nc(C)c(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is FWILBACIGNHMEW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30N4O/c1-7-24-16(4)18(15(3)22-24)11-12-21-20(25)19(23(5)6)17-10-8-9-14(2)13-17/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide?
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 342.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 95130797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).