N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C17H27N3O3 — CID 91783447

IUPACN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C17H27N3O3/c1-11-14(12(2)20-19-11)8-17(21)18-15-6-7-22-10-16(15)23-9-13-4-3-5-13/h13,15-16H,3-10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1
InChIKeyKAESZFMZTUCRFT-HZPDHXFCSA-N
MW321.42 g/mol
LogP1.66
Rot. Bonds6

About N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 91783447) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID91783447
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C17H27N3O3/c1-11-14(12(2)20-19-11)8-17(21)18-15-6-7-22-10-16(15)23-9-13-4-3-5-13/h13,15-16H,3-10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1
InChIKeyKAESZFMZTUCRFT-HZPDHXFCSA-N
XLogP1.66
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 91783447) is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1.
What is the InChIKey of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is KAESZFMZTUCRFT-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-14(12(2)20-19-11)8-17(21)18-15-6-7-22-10-16(15)23-9-13-4-3-5-13/h13,15-16H,3-10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 91783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).