N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide

C16H22N4O3 — CID 100830183

IUPACN-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cc(COc2ccccc2OC)nn1
InChIInChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-8-6-5-7-14(15)22-3/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyYDEMLALMPIGMDH-LBPRGKRZSA-N
MW318.38 g/mol
LogP1.78
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 100830183) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
PubChem CID100830183
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cc(COc2ccccc2OC)nn1
InChIInChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-8-6-5-7-14(15)22-3/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyYDEMLALMPIGMDH-LBPRGKRZSA-N
XLogP1.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide 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

N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide (CID 100830183) is N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide is CC[C@H](C)NC(=O)Cn1cc(COc2ccccc2OC)nn1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is YDEMLALMPIGMDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-12(2)17-16(21)10-20-9-13(18-19-20)11-23-15-8-6-5-7-14(15)22-3/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 100830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).