(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

C19H22N2O3 — CID 124503191

IUPAC(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-17(20)19(22)21(18)11-13-6-9-15(23-2)16(10-13)24-3/h4-10,17-18H,11,20H2,1-3H3/t17-,18+/m0/s1
InChIKeyQNFGNEKYGDXYBN-ZWKOTPCHSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds5

About (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (PubChem CID 124503191) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
PubChem CID124503191
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-17(20)19(22)21(18)11-13-6-9-15(23-2)16(10-13)24-3/h4-10,17-18H,11,20H2,1-3H3/t17-,18+/m0/s1
InChIKeyQNFGNEKYGDXYBN-ZWKOTPCHSA-N
XLogP2.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503193
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503214
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
CID 124503237
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
CID 70575146
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340
3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504311
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (CID 124503191) is (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(C)cc2)cc1OC.
What is the InChIKey of (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is QNFGNEKYGDXYBN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-4-7-14(8-5-12)18-17(20)19(22)21(18)11-13-6-9-15(23-2)16(10-13)24-3/h4-10,17-18H,11,20H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124503191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).