(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide

C20H29N5O — CID 97209515

IUPAC(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@H](C(=O)NCc1nncn1C1CCCCC1)N(C)C
InChIInChI=1S/C20H29N5O/c1-15-9-7-8-12-17(15)19(24(2)3)20(26)21-13-18-23-22-14-25(18)16-10-5-4-6-11-16/h7-9,12,14,16,19H,4-6,10-11,13H2,1-3H3,(H,21,26)/t19-/m1/s1
InChIKeyVBKXPRVKVNVLHY-LJQANCHMSA-N
MW355.49 g/mol
LogP3.01
Rot. Bonds6

About (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide

(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide (PubChem CID 97209515) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
PubChem CID97209515
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1[C@H](C(=O)NCc1nncn1C1CCCCC1)N(C)C
InChIInChI=1S/C20H29N5O/c1-15-9-7-8-12-17(15)19(24(2)3)20(26)21-13-18-23-22-14-25(18)16-10-5-4-6-11-16/h7-9,12,14,16,19H,4-6,10-11,13H2,1-3H3,(H,21,26)/t19-/m1/s1
InChIKeyVBKXPRVKVNVLHY-LJQANCHMSA-N
XLogP3.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide with MolForge

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Related Compounds

(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 135117050
N-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]-2-methylaniline
CID 62711781
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide
CID 91769556
(3S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97155470
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97284597
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
CID 91829817
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913583
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide?
The IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide (CID 97209515) is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide is Cc1ccccc1[C@H](C(=O)NCc1nncn1C1CCCCC1)N(C)C.
What is the InChIKey of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide?
The InChIKey is VBKXPRVKVNVLHY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-9-7-8-12-17(15)19(24(2)3)20(26)21-13-18-23-22-14-25(18)16-10-5-4-6-11-16/h7-9,12,14,16,19H,4-6,10-11,13H2,1-3H3,(H,21,26)/t19-/m1/s1.
What are the key properties of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide?
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 97209515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).