(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide

C23H28N2O4 — CID 140657921

IUPAC(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide
SMILESCOc1ccc(C[C@@H](C(=O)N2CC(c3ccccc3OC)C2)C(C)C(N)=O)cc1
InChIInChI=1S/C23H28N2O4/c1-15(22(24)26)20(12-16-8-10-18(28-2)11-9-16)23(27)25-13-17(14-25)19-6-4-5-7-21(19)29-3/h4-11,15,17,20H,12-14H2,1-3H3,(H2,24,26)/t15?,20-/m1/s1
InChIKeyQMONJBBUGOHPJX-YQYDADCPSA-N
MW396.49 g/mol
LogP2.61
Rot. Bonds8

About (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide

(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide (PubChem CID 140657921) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide
PubChem CID140657921
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide
SMILESCOc1ccc(C[C@@H](C(=O)N2CC(c3ccccc3OC)C2)C(C)C(N)=O)cc1
InChIInChI=1S/C23H28N2O4/c1-15(22(24)26)20(12-16-8-10-18(28-2)11-9-16)23(27)25-13-17(14-25)19-6-4-5-7-21(19)29-3/h4-11,15,17,20H,12-14H2,1-3H3,(H2,24,26)/t15?,20-/m1/s1
InChIKeyQMONJBBUGOHPJX-YQYDADCPSA-N
XLogP2.61
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide?
The IUPAC name of (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide (CID 140657921) is (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide.
What is the SMILES notation for (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide?
The canonical SMILES for (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide is COc1ccc(C[C@@H](C(=O)N2CC(c3ccccc3OC)C2)C(C)C(N)=O)cc1.
What is the InChIKey of (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide?
The InChIKey is QMONJBBUGOHPJX-YQYDADCPSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(22(24)26)20(12-16-8-10-18(28-2)11-9-16)23(27)25-13-17(14-25)19-6-4-5-7-21(19)29-3/h4-11,15,17,20H,12-14H2,1-3H3,(H2,24,26)/t15?,20-/m1/s1.
What are the key properties of (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide?
(3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide has a molecular weight of 396.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(2-methoxyphenyl)azetidin-1-yl]-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanamide is sourced from PubChem (CID 140657921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).