N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C17H24N4O2 — CID 122564762

IUPACN-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCc1cccc(C(CNC(=O)Cc2c(C)[nH][nH]c2=O)N(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-11-6-5-7-13(8-11)15(21(3)4)10-18-16(22)9-14-12(2)19-20-17(14)23/h5-8,15H,9-10H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyAKMJFXRQQYFRLV-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 122564762) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID122564762
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCc1cccc(C(CNC(=O)Cc2c(C)[nH][nH]c2=O)N(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-11-6-5-7-13(8-11)15(21(3)4)10-18-16(22)9-14-12(2)19-20-17(14)23/h5-8,15H,9-10H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyAKMJFXRQQYFRLV-UHFFFAOYSA-N
XLogP1.28
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 122564762) is N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is Cc1cccc(C(CNC(=O)Cc2c(C)[nH][nH]c2=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is AKMJFXRQQYFRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-6-5-7-13(8-11)15(21(3)4)10-18-16(22)9-14-12(2)19-20-17(14)23/h5-8,15H,9-10H2,1-4H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 122564762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).