N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide

C17H18N4O — CID 95160043

IUPACN-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESC[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cn1cncn1
InChIInChI=1S/C17H18N4O/c1-13(20-17(22)10-21-12-18-11-19-21)8-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,11-13H,8,10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyYZDJGARIEBOBOX-ZDUSSCGKSA-N
MW294.36 g/mol
LogP2.18
Rot. Bonds5

About N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 95160043) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID95160043
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESC[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cn1cncn1
InChIInChI=1S/C17H18N4O/c1-13(20-17(22)10-21-12-18-11-19-21)8-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,11-13H,8,10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyYZDJGARIEBOBOX-ZDUSSCGKSA-N
XLogP2.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 155683412
N-(1-naphthylmethyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3631677
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide
CID 166636221
N-(3,3-diphenylpropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3539070
(2R)-2-amino-N-[3-cyclohexyl-4-(1,2,4-triazol-1-yl)butyl]-3-(4-fluorophenyl)propanamide
CID 44453903
(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 155683403
2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51097419
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53577364
N-[1-(2,5-dimethylphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53599113
N-[2-(2-methylphenyl)ethyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53603895

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 95160043) is N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide is C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cn1cncn1.
What is the InChIKey of N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YZDJGARIEBOBOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(20-17(22)10-21-12-18-11-19-21)8-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,11-13H,8,10H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 95160043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).