4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide

C27H27N3O4 — CID 10139250

IUPAC4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C27H27N3O4/c1-17(16-18-6-4-3-5-7-18)28-24(32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)23(31)27(2)25(33)29-26(34)30-27/h3-15,17,23,31H,16H2,1-2H3,(H,28,32)(H2,29,30,33,34)
InChIKeyZOUWBLFEPFUYGE-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.35
Rot. Bonds7

About 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide

4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 10139250) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide
PubChem CID10139250
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C27H27N3O4/c1-17(16-18-6-4-3-5-7-18)28-24(32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)23(31)27(2)25(33)29-26(34)30-27/h3-15,17,23,31H,16H2,1-2H3,(H,28,32)(H2,29,30,33,34)
InChIKeyZOUWBLFEPFUYGE-UHFFFAOYSA-N
XLogP3.35
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 14747473
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide (CID 10139250) is 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is ZOUWBLFEPFUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-17(16-18-6-4-3-5-7-18)28-24(32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)23(31)27(2)25(33)29-26(34)30-27/h3-15,17,23,31H,16H2,1-2H3,(H,28,32)(H2,29,30,33,34).
What are the key properties of 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide?
4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 457.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy-(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]phenyl]-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 10139250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).