2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide

C11H20N4O — CID 176871295

IUPAC2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](Cn1ccnn1)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(13-11(16)9(3)4)7-15-6-5-12-14-15/h5-6,8-10H,7H2,1-4H3,(H,13,16)/t10-/m1/s1
InChIKeySKLIBPNADIKQCW-SNVBAGLBSA-N
MW224.31 g/mol
LogP1.07
Rot. Bonds5

About 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide

2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide (PubChem CID 176871295) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
PubChem CID176871295
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H](Cn1ccnn1)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(13-11(16)9(3)4)7-15-6-5-12-14-15/h5-6,8-10H,7H2,1-4H3,(H,13,16)/t10-/m1/s1
InChIKeySKLIBPNADIKQCW-SNVBAGLBSA-N
XLogP1.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]butanamide
CID 122560590
(1S)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 124616491
methyl N-[(2S)-1-oxo-1-[3-(triazol-1-yl)propylamino]propan-2-yl]carbamate
CID 124841608
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104096657
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104439227
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104445362
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 104445571
2-fluoro-N-[[3-(triazol-1-yl)cyclobutyl]methyl]prop-2-enamide
CID 166417257
1-(3-(1H-1,2,3-triazol-1-yl)azetidin-1-yl)-3,3-dimethylbutan-1-one
CID 91625199
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(1H-1,2,3-triazol-1-yl)acetamide
CID 118777330
3-sulfanyl-N-[3-(triazol-1-ylmethyl)cyclobutyl]propanamide
CID 177680683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide (CID 176871295) is 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide is CC(C)C(=O)N[C@H](Cn1ccnn1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide?
The InChIKey is SKLIBPNADIKQCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10(13-11(16)9(3)4)7-15-6-5-12-14-15/h5-6,8-10H,7H2,1-4H3,(H,13,16)/t10-/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide?
2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide is sourced from PubChem (CID 176871295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).