1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid

C21H21NO5 — CID 13232006

IUPAC1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid
SMILESC=CC1C(=O)N(C(c2ccc(OC)cc2)c2ccc(OC)cc2)C1C(=O)O
InChIInChI=1S/C21H21NO5/c1-4-17-19(21(24)25)22(20(17)23)18(13-5-9-15(26-2)10-6-13)14-7-11-16(27-3)12-8-14/h4-12,17-19H,1H2,2-3H3,(H,24,25)
InChIKeyNIANXKDYCHLWFU-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.89
Rot. Bonds7

About 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid

1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 13232006) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid
PubChem CID13232006
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid
SMILESC=CC1C(=O)N(C(c2ccc(OC)cc2)c2ccc(OC)cc2)C1C(=O)O
InChIInChI=1S/C21H21NO5/c1-4-17-19(21(24)25)22(20(17)23)18(13-5-9-15(26-2)10-6-13)14-7-11-16(27-3)12-8-14/h4-12,17-19H,1H2,2-3H3,(H,24,25)
InChIKeyNIANXKDYCHLWFU-UHFFFAOYSA-N
XLogP2.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate
CID 57078408
(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 10064561
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
methyl 3-[[(2S,3R)-1-benzhydryl-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]amino]but-2-enoate
CID 70576719
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
(2R)-1-[(S)-1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 101001561
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 102569921
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid (CID 13232006) is 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid is C=CC1C(=O)N(C(c2ccc(OC)cc2)c2ccc(OC)cc2)C1C(=O)O.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is NIANXKDYCHLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-17-19(21(24)25)22(20(17)23)18(13-5-9-15(26-2)10-6-13)14-7-11-16(27-3)12-8-14/h4-12,17-19H,1H2,2-3H3,(H,24,25).
What are the key properties of 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid?
1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 367.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 13232006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).