[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone

C27H27N3O3 — CID 67287964

IUPAC[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2O)C1
InChIInChI=1S/C27H27N3O3/c31-25-18-30(26(32)21-9-5-2-6-10-21)17-24(25)28-23-15-29(16-23)27(33)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-14,23-25,28,31H,15-18H2
InChIKeyFTTLMTGAFUSDKT-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.65
Rot. Bonds5

About [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone

[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 67287964) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
PubChem CID67287964
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2O)C1
InChIInChI=1S/C27H27N3O3/c31-25-18-30(26(32)21-9-5-2-6-10-21)17-24(25)28-23-15-29(16-23)27(33)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-14,23-25,28,31H,15-18H2
InChIKeyFTTLMTGAFUSDKT-UHFFFAOYSA-N
XLogP2.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(4-phenylphenyl)-[3-[[(3S)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963413
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
1-(4-phenylbenzoyl)azetidin-3-one
CID 67288829
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 71032299
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone (CID 67287964) is [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccc(-c2ccccc2)cc1)N1CC(NC2CN(C(=O)c3ccccc3)CC2O)C1.
What is the InChIKey of [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is FTTLMTGAFUSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-25-18-30(26(32)21-9-5-2-6-10-21)17-24(25)28-23-15-29(16-23)27(33)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-14,23-25,28,31H,15-18H2.
What are the key properties of [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone?
[3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 441.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-[[1-(4-phenylbenzoyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 67287964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).