(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C14H18N4O2 — CID 95330076

IUPAC(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCO[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-9(2)12-15-14(18-17-12)16-13(19)11(20-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H2,15,16,17,18,19)/t11-/m0/s1
InChIKeyTXHZHNOMOIHKGY-NSHDSACASA-N
MW274.32 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 95330076) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID95330076
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCO[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-9(2)12-15-14(18-17-12)16-13(19)11(20-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H2,15,16,17,18,19)/t11-/m0/s1
InChIKeyTXHZHNOMOIHKGY-NSHDSACASA-N
XLogP2.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 95330075
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
3-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 110204742
(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95782037
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821160
2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 84595231
N-(2,6-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2955946
N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 115683268
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 95330076) is (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is CO[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is TXHZHNOMOIHKGY-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)12-15-14(18-17-12)16-13(19)11(20-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H2,15,16,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 95330076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).