[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid

C28H39N3O4 — CID 68981933

IUPAC[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
SMILESCCCCC1(CCCC)N[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H39N3O4/c1-3-5-17-28(18-6-4-2)30-24(26(33)31(28)20-22-15-11-8-12-16-22)25(32)23(29-27(34)35)19-21-13-9-7-10-14-21/h7-16,23-25,29-30,32H,3-6,17-20H2,1-2H3,(H,34,35)/t23-,24-,25+/m0/s1
InChIKeyZZIQTMXALLMLOA-CCDWMCETSA-N
MW481.64 g/mol
LogP4.30
Rot. Bonds13

About [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid

[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid (PubChem CID 68981933) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
PubChem CID68981933
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC Name[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
SMILESCCCCC1(CCCC)N[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H39N3O4/c1-3-5-17-28(18-6-4-2)30-24(26(33)31(28)20-22-15-11-8-12-16-22)25(32)23(29-27(34)35)19-21-13-9-7-10-14-21/h7-16,23-25,29-30,32H,3-6,17-20H2,1-2H3,(H,34,35)/t23-,24-,25+/m0/s1
InChIKeyZZIQTMXALLMLOA-CCDWMCETSA-N
XLogP4.30
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide
CID 73314226
N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 73314206
[(1R)-1-hydroxy-1-[(4S)-5-oxo-4-pentyl-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamic acid
CID 69255221
3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one
CID 173383227
[(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
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(propylamino)butan-2-yl]carbamic acid
CID 90717635
[(2S)-1-(dimethylamino)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 167060741
(4R)-N-[(1S,2S)-1-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-1-butyl-4-ethyl-5-oxopyrrolidine-3-carboxamide
CID 44586453
phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 16731186
[(2S,3S)-4-ethoxy-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69072488
(3R)-9-benzyl-1-butyl-3-[(S)-cyclohexyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 58715388
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid (CID 68981933) is [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid is CCCCC1(CCCC)N[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)O)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is ZZIQTMXALLMLOA-CCDWMCETSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-3-5-17-28(18-6-4-2)30-24(26(33)31(28)20-22-15-11-8-12-16-22)25(32)23(29-27(34)35)19-21-13-9-7-10-14-21/h7-16,23-25,29-30,32H,3-6,17-20H2,1-2H3,(H,34,35)/t23-,24-,25+/m0/s1.
What are the key properties of [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid?
[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 481.64 g/mol, XLogP of 4.30, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68981933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).