2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide

C19H26N4O2 — CID 16671688

IUPAC2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
SMILESCC(=O)C1CC(CC(=O)N[C@@H](C)Cn2nnc3ccccc32)C1(C)C
InChIInChI=1S/C19H26N4O2/c1-12(11-23-17-8-6-5-7-16(17)21-22-23)20-18(25)10-14-9-15(13(2)24)19(14,3)4/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,25)/t12-,14?,15?/m0/s1
InChIKeyBSLIHJOFCOUBIJ-GRTSSRMGSA-N
MW342.44 g/mol
LogP2.58
Rot. Bonds6

About 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide

2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide (PubChem CID 16671688) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
PubChem CID16671688
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
SMILESCC(=O)C1CC(CC(=O)N[C@@H](C)Cn2nnc3ccccc32)C1(C)C
InChIInChI=1S/C19H26N4O2/c1-12(11-23-17-8-6-5-7-16(17)21-22-23)20-18(25)10-14-9-15(13(2)24)19(14,3)4/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,25)/t12-,14?,15?/m0/s1
InChIKeyBSLIHJOFCOUBIJ-GRTSSRMGSA-N
XLogP2.58
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide (CID 16671688) is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide is CC(=O)C1CC(CC(=O)N[C@@H](C)Cn2nnc3ccccc32)C1(C)C.
What is the InChIKey of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide?
The InChIKey is BSLIHJOFCOUBIJ-GRTSSRMGSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(11-23-17-8-6-5-7-16(17)21-22-23)20-18(25)10-14-9-15(13(2)24)19(14,3)4/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,25)/t12-,14?,15?/m0/s1.
What are the key properties of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide?
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 16671688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).