N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C28H31N3O3 — CID 73314206

IUPACN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESCC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H31N3O3/c1-28(2)30-24(27(34)31(28)19-21-14-8-4-9-15-21)25(32)23(18-20-12-6-3-7-13-20)29-26(33)22-16-10-5-11-17-22/h3-17,23-25,30,32H,18-19H2,1-2H3,(H,29,33)
InChIKeyIWRCFDZYBZWSEO-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.13
Rot. Bonds8

About N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide

N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 73314206) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID73314206
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESCC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H31N3O3/c1-28(2)30-24(27(34)31(28)19-21-14-8-4-9-15-21)25(32)23(18-20-12-6-3-7-13-20)29-26(33)22-16-10-5-11-17-22/h3-17,23-25,30,32H,18-19H2,1-2H3,(H,29,33)
InChIKeyIWRCFDZYBZWSEO-UHFFFAOYSA-N
XLogP3.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide with MolForge

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Related Compounds

[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68981933
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
2-amino-3-benzamido-4-phenylbutanoic acid
CID 12502888
phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 16731186
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
CID 21060799
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
[(1R,2S)-1-hydroxy-1-[(4S)-5-oxo-2-propan-2-yl-1-(pyridin-3-ylmethyl)imidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid
CID 67333645
2-[(1,1-dihydroxy-3-phenylpropan-2-yl)carbamoyl]benzoic acid
CID 123353160
N-[4,4,4-trifluoro-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-phenylbutan-2-yl]benzamide
CID 155674072

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 73314206) is N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide is CC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is IWRCFDZYBZWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-28(2)30-24(27(34)31(28)19-21-14-8-4-9-15-21)25(32)23(18-20-12-6-3-7-13-20)29-26(33)22-16-10-5-11-17-22/h3-17,23-25,30,32H,18-19H2,1-2H3,(H,29,33).
What are the key properties of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 73314206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).