2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide

C17H29N5O2 — CID 71930319

IUPAC2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)N1CCCC1c1nncn1CC(C)C
InChIInChI=1S/C17H29N5O2/c1-5-13(4)17(24)18-9-15(23)22-8-6-7-14(22)16-20-19-11-21(16)10-12(2)3/h11-14H,5-10H2,1-4H3,(H,18,24)
InChIKeyVTJQMZGAPIZBGY-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.76
Rot. Bonds7

About 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide

2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide (PubChem CID 71930319) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
PubChem CID71930319
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)N1CCCC1c1nncn1CC(C)C
InChIInChI=1S/C17H29N5O2/c1-5-13(4)17(24)18-9-15(23)22-8-6-7-14(22)16-20-19-11-21(16)10-12(2)3/h11-14H,5-10H2,1-4H3,(H,18,24)
InChIKeyVTJQMZGAPIZBGY-UHFFFAOYSA-N
XLogP1.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide (CID 71930319) is 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide is CCC(C)C(=O)NCC(=O)N1CCCC1c1nncn1CC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide?
The InChIKey is VTJQMZGAPIZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-13(4)17(24)18-9-15(23)22-8-6-7-14(22)16-20-19-11-21(16)10-12(2)3/h11-14H,5-10H2,1-4H3,(H,18,24).
What are the key properties of 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide?
2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide has a molecular weight of 335.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide is sourced from PubChem (CID 71930319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).