(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C15H20N4O2 — CID 34952535

IUPAC(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)n1cncn1
InChIInChI=1S/C15H20N4O2/c1-10-5-6-14(21-4)13(7-10)11(2)18-15(20)12(3)19-9-16-8-17-19/h5-9,11-12H,1-4H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyDOFVAWVMXLONNE-NEPJUHHUSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds5

About (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 34952535) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID34952535
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)n1cncn1
InChIInChI=1S/C15H20N4O2/c1-10-5-6-14(21-4)13(7-10)11(2)18-15(20)12(3)19-9-16-8-17-19/h5-9,11-12H,1-4H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyDOFVAWVMXLONNE-NEPJUHHUSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048712
(2R)-N-[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94022861
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51647471
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 34952535) is (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)n1cncn1.
What is the InChIKey of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DOFVAWVMXLONNE-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-5-6-14(21-4)13(7-10)11(2)18-15(20)12(3)19-9-16-8-17-19/h5-9,11-12H,1-4H3,(H,18,20)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 34952535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).