(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one

C20H17NO — CID 102399005

IUPAC(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO/c1-14-19(21(20(14)22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-14,19H,1H3/t14-,19+/m1/s1
InChIKeyKCDNNGZRBFPWPJ-KUHUBIRLSA-N
MW287.36 g/mol
LogP4.56
Rot. Bonds2

About (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one

(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one (PubChem CID 102399005) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one
PubChem CID102399005
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO/c1-14-19(21(20(14)22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-14,19H,1H3/t14-,19+/m1/s1
InChIKeyKCDNNGZRBFPWPJ-KUHUBIRLSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 11258353
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
CID 11559132
3-naphthalen-2-yl-1-phenyl-3H-indol-2-one
CID 118938995
(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 54585323
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenoxyazetidin-2-one
CID 135013406

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one (CID 102399005) is (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one is C[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one?
The InChIKey is KCDNNGZRBFPWPJ-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H17NO/c1-14-19(21(20(14)22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-14,19H,1H3/t14-,19+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one?
(3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-naphthalen-2-yl-1-phenylazetidin-2-one is sourced from PubChem (CID 102399005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).