(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide

C15H20N4O2 — CID 42588525

IUPAC(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(9-19-12(3)16-11(2)18-19)15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyPNKUOGVPBZXRSN-JTQLQIEISA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds5

About (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 42588525) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID42588525
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(9-19-12(3)16-11(2)18-19)15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20)/t10-/m0/s1
InChIKeyPNKUOGVPBZXRSN-JTQLQIEISA-N
XLogP2.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 42588516
(2R)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 42588518
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973812
(2R)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 40793214
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596397
ethyl 2-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 9445287
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147004
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]propanamide
CID 51585704

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide (CID 42588525) is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)[C@@H](C)Cn2nc(C)nc2C)cc1.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is PNKUOGVPBZXRSN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(9-19-12(3)16-11(2)18-19)15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 288.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 42588525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).