1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid

C25H24N2O3 — CID 67081474

IUPAC1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c28-24(21-10-6-19(7-11-21)14-18-4-2-1-3-5-18)26-23-12-8-20(9-13-23)15-27-16-22(17-27)25(29)30/h1-13,22H,14-17H2,(H,26,28)(H,29,30)
InChIKeyMJECDIZGYXISGF-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.05
Rot. Bonds7

About 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 67081474) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID67081474
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c28-24(21-10-6-19(7-11-21)14-18-4-2-1-3-5-18)26-23-12-8-20(9-13-23)15-27-16-22(17-27)25(29)30/h1-13,22H,14-17H2,(H,26,28)(H,29,30)
InChIKeyMJECDIZGYXISGF-UHFFFAOYSA-N
XLogP4.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451795
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
methane;1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-(2-phenylethyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 159528463
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108762001
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-[[4-[(4-phenylpiperazin-1-yl)methyl]benzoyl]amino]benzenesulfinic acid
CID 144711516
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid (CID 67081474) is 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid is O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is MJECDIZGYXISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24(21-10-6-19(7-11-21)14-18-4-2-1-3-5-18)26-23-12-8-20(9-13-23)15-27-16-22(17-27)25(29)30/h1-13,22H,14-17H2,(H,26,28)(H,29,30).
What are the key properties of 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 67081474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).