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

C15H21N5O2 — CID 136804341

IUPAC(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)N(C)C
InChIInChI=1S/C15H21N5O2/c1-10-6-4-5-7-11(10)13(20(2)3)14(21)16-9-8-12-17-15(22)19-18-12/h4-7,13H,8-9H2,1-3H3,(H,16,21)(H2,17,18,19,22)/t13-/m1/s1
InChIKeyVUHFSFWCHNUMGS-CYBMUJFWSA-N
MW303.37 g/mol
LogP0.37
Rot. Bonds6

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

(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 136804341) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID136804341
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)N(C)C
InChIInChI=1S/C15H21N5O2/c1-10-6-4-5-7-11(10)13(20(2)3)14(21)16-9-8-12-17-15(22)19-18-12/h4-7,13H,8-9H2,1-3H3,(H,16,21)(H2,17,18,19,22)/t13-/m1/s1
InChIKeyVUHFSFWCHNUMGS-CYBMUJFWSA-N
XLogP0.37
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72854905
2-(dimethylamino)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-methylphenyl)acetamide
CID 72917770
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97284597
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 72859862
trans-(1S,2S)-2-(2-methylphenyl)-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 136807910
2-(dimethylamino)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 72938087
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]-N-methylfuran-2-carboxamide
CID 72932314
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 136804341) is (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1ccccc1[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is VUHFSFWCHNUMGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-6-4-5-7-11(10)13(20(2)3)14(21)16-9-8-12-17-15(22)19-18-12/h4-7,13H,8-9H2,1-3H3,(H,16,21)(H2,17,18,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 136804341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).