N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide

C16H23NO2 — CID 134834161

IUPACN-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-8-15(18)17(11-4-2)14-12-19-16(14)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,8,11-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyIGVSSWAKCLHOAT-GDBMZVCRSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds6

About N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide

N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide (PubChem CID 134834161) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide
PubChem CID134834161
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide
SMILESCCCC(=O)N(CCC)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-8-15(18)17(11-4-2)14-12-19-16(14)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,8,11-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyIGVSSWAKCLHOAT-GDBMZVCRSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide?
The IUPAC name of N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide (CID 134834161) is N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide.
What is the SMILES notation for N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide?
The canonical SMILES for N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide is CCCC(=O)N(CCC)[C@@H]1CO[C@@H]1c1ccccc1.
What is the InChIKey of N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide?
The InChIKey is IGVSSWAKCLHOAT-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-8-15(18)17(11-4-2)14-12-19-16(14)13-9-6-5-7-10-13/h5-7,9-10,14,16H,3-4,8,11-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide?
N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide is sourced from PubChem (CID 134834161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).