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

C15H20N4O2 — CID 94026406

IUPAC(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCCn1cnnc1CNC(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-4-19-10-17-18-14(19)9-16-15(20)12(3)21-13-7-5-11(2)6-8-13/h5-8,10,12H,4,9H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHRQIFOXRAQDZLT-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.69
Rot. Bonds6

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

(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide (PubChem CID 94026406) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
PubChem CID94026406
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCCn1cnnc1CNC(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-4-19-10-17-18-14(19)9-16-15(20)12(3)21-13-7-5-11(2)6-8-13/h5-8,10,12H,4,9H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHRQIFOXRAQDZLT-LBPRGKRZSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 56823932
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2S)-2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 51940925
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide (CID 94026406) is (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide is CCn1cnnc1CNC(=O)[C@H](C)Oc1ccc(C)cc1.
What is the InChIKey of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is HRQIFOXRAQDZLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19-10-17-18-14(19)9-16-15(20)12(3)21-13-7-5-11(2)6-8-13/h5-8,10,12H,4,9H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 94026406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).