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

C29H33N3O3 — CID 73314226

IUPACN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide
SMILESCC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H33N3O3/c1-29(2)31-26(28(35)32(29)20-23-16-10-5-11-17-23)27(34)24(18-21-12-6-3-7-13-21)30-25(33)19-22-14-8-4-9-15-22/h3-17,24,26-27,31,34H,18-20H2,1-2H3,(H,30,33)
InChIKeyLZDXOTFXACOJNP-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.05
Rot. Bonds9

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

N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide (PubChem CID 73314226) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide
PubChem CID73314226
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide
SMILESCC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H33N3O3/c1-29(2)31-26(28(35)32(29)20-23-16-10-5-11-17-23)27(34)24(18-21-12-6-3-7-13-21)30-25(33)19-22-14-8-4-9-15-22/h3-17,24,26-27,31,34H,18-20H2,1-2H3,(H,30,33)
InChIKeyLZDXOTFXACOJNP-UHFFFAOYSA-N
XLogP3.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 73314206
3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one
CID 173383227
[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68981933
3,5-dibenzyl-2,2-dimethylimidazolidin-4-one
CID 69255258
phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 16731186
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
CID 101052198
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
[(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
3-[(2-chloroacetyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 12945691
N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713

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]-2-phenylacetamide?
The IUPAC name of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide (CID 73314226) is N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide is CC1(C)NC(C(O)C(Cc2ccccc2)NC(=O)Cc2ccccc2)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]-2-phenylacetamide?
The InChIKey is LZDXOTFXACOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-29(2)31-26(28(35)32(29)20-23-16-10-5-11-17-23)27(34)24(18-21-12-6-3-7-13-21)30-25(33)19-22-14-8-4-9-15-22/h3-17,24,26-27,31,34H,18-20H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide?
N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide has a molecular weight of 471.60 g/mol, XLogP of 3.05, 9 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]-2-phenylacetamide is sourced from PubChem (CID 73314226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).