(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

C14H18N4O2 — CID 124938273

IUPAC(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESC[C@@H](C(=O)N(C)C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C14H18N4O2/c1-11(14(19)17(2)3)18-9-12(15-16-18)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1
InChIKeyIZXHVTMLBVPTAD-NSHDSACASA-N
MW274.32 g/mol
LogP1.51
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (PubChem CID 124938273) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
PubChem CID124938273
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESC[C@@H](C(=O)N(C)C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C14H18N4O2/c1-11(14(19)17(2)3)18-9-12(15-16-18)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1
InChIKeyIZXHVTMLBVPTAD-NSHDSACASA-N
XLogP1.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 124938453
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
(2R)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938362
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938361
(2R)-1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(phenoxymethyl)triazol-1-yl]propan-1-one
CID 124938551
(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938174
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 81444021
N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 90677395
N-benzyl-N-[2-methyl-1-oxo-1-[[(2S)-1-[4-(phenoxymethyl)triazol-1-yl]propan-2-yl]amino]propan-2-yl]benzamide
CID 102174636
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (CID 124938273) is (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is C[C@@H](C(=O)N(C)C)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The InChIKey is IZXHVTMLBVPTAD-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(14(19)17(2)3)18-9-12(15-16-18)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 124938273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).