(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide

C15H20N4O2 — CID 124938453

IUPAC(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C15H20N4O2/c1-11(2)16-15(20)12(3)19-9-13(17-18-19)10-21-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyRGNOVUAOYDFFIP-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide

(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 124938453) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID124938453
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C15H20N4O2/c1-11(2)16-15(20)12(3)19-9-13(17-18-19)10-21-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyRGNOVUAOYDFFIP-LBPRGKRZSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
(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-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
2-[1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]triazol-4-yl]acetic acid
CID 107461608
N-propan-2-yl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 155773037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide (CID 124938453) is (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is RGNOVUAOYDFFIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)16-15(20)12(3)19-9-13(17-18-19)10-21-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide?
(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 288.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 124938453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).