(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one

C19H21NO — CID 10636401

IUPAC(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one
SMILESCC(N[C@]1(Cc2ccccc2)CCC1=O)c1ccccc1
InChIInChI=1S/C19H21NO/c1-15(17-10-6-3-7-11-17)20-19(13-12-18(19)21)14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3/t15?,19-/m0/s1
InChIKeyUMHDYELTMWYMNW-FUBQLUNQSA-N
MW279.38 g/mol
LogP3.68
Rot. Bonds5

About (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one

(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one (PubChem CID 10636401) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one
PubChem CID10636401
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one
SMILESCC(N[C@]1(Cc2ccccc2)CCC1=O)c1ccccc1
InChIInChI=1S/C19H21NO/c1-15(17-10-6-3-7-11-17)20-19(13-12-18(19)21)14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3/t15?,19-/m0/s1
InChIKeyUMHDYELTMWYMNW-FUBQLUNQSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one?
The IUPAC name of (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one (CID 10636401) is (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one?
The canonical SMILES for (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one is CC(N[C@]1(Cc2ccccc2)CCC1=O)c1ccccc1.
What is the InChIKey of (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one?
The InChIKey is UMHDYELTMWYMNW-FUBQLUNQSA-N. The full InChI is InChI=1S/C19H21NO/c1-15(17-10-6-3-7-11-17)20-19(13-12-18(19)21)14-16-8-4-2-5-9-16/h2-11,15,20H,12-14H2,1H3/t15?,19-/m0/s1.
What are the key properties of (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one?
(2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2-(1-phenylethylamino)cyclobutan-1-one is sourced from PubChem (CID 10636401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).