(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide

C18H20N4O — CID 97017935

IUPAC(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)NCCc1nncn1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N4O/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)18(23)19-10-9-17-21-20-12-22(17)2/h3-8,11-13H,9-10H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyWBGODRCIFSUHMR-ZDUSSCGKSA-N
MW308.38 g/mol
LogP2.43
Rot. Bonds5

About (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide

(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide (PubChem CID 97017935) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide
PubChem CID97017935
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)NCCc1nncn1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N4O/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)18(23)19-10-9-17-21-20-12-22(17)2/h3-8,11-13H,9-10H2,1-2H3,(H,19,23)/t13-/m0/s1
InChIKeyWBGODRCIFSUHMR-ZDUSSCGKSA-N
XLogP2.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
(2S)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339529
(2R)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339530
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
3-(4-aminophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 104502614
3-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126425555
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119630118
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide (CID 97017935) is (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide is C[C@H](C(=O)NCCc1nncn1C)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide?
The InChIKey is WBGODRCIFSUHMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)18(23)19-10-9-17-21-20-12-22(17)2/h3-8,11-13H,9-10H2,1-2H3,(H,19,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide?
(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide is sourced from PubChem (CID 97017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).