(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one

C24H28N2O4 — CID 56640987

IUPAC(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O4/c1-18-22(27)26(17-20-8-10-21(29-2)11-9-20)24(18,16-19-6-4-3-5-7-19)23(28)25-12-14-30-15-13-25/h3-11,18H,12-17H2,1-2H3/t18-,24+/m1/s1
InChIKeyVJPSATBTZVJSFM-KOSHJBKYSA-N
MW408.50 g/mol
LogP2.51
Rot. Bonds6

About (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one

(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one (PubChem CID 56640987) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
PubChem CID56640987
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O4/c1-18-22(27)26(17-20-8-10-21(29-2)11-9-20)24(18,16-19-6-4-3-5-7-19)23(28)25-12-14-30-15-13-25/h3-11,18H,12-17H2,1-2H3/t18-,24+/m1/s1
InChIKeyVJPSATBTZVJSFM-KOSHJBKYSA-N
XLogP2.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The IUPAC name of (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one (CID 56640987) is (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one is COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The InChIKey is VJPSATBTZVJSFM-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-18-22(27)26(17-20-8-10-21(29-2)11-9-20)24(18,16-19-6-4-3-5-7-19)23(28)25-12-14-30-15-13-25/h3-11,18H,12-17H2,1-2H3/t18-,24+/m1/s1.
What are the key properties of (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
(3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-4-(morpholine-4-carbonyl)azetidin-2-one is sourced from PubChem (CID 56640987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).