N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide

C32H37N3O3 — CID 24805683

IUPACN-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide
SMILESCCCC[C@@](C)(C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H37N3O3/c1-5-6-22-32(3,28(25-18-12-8-13-19-25)33-29(36)26-20-14-9-15-21-26)30(37)35-27(23(2)34(4)31(35)38)24-16-10-7-11-17-24/h7-21,23,27-28H,5-6,22H2,1-4H3,(H,33,36)/t23-,27-,28+,32+/m0/s1
InChIKeyFKPYOYXXYFXXDD-PTYWFVGTSA-N
MW511.67 g/mol
LogP6.38
Rot. Bonds9

About N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide

N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide (PubChem CID 24805683) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide
PubChem CID24805683
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC NameN-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide
SMILESCCCC[C@@](C)(C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H37N3O3/c1-5-6-22-32(3,28(25-18-12-8-13-19-25)33-29(36)26-20-14-9-15-21-26)30(37)35-27(23(2)34(4)31(35)38)24-16-10-7-11-17-24/h7-21,23,27-28H,5-6,22H2,1-4H3,(H,33,36)/t23-,27-,28+,32+/m0/s1
InChIKeyFKPYOYXXYFXXDD-PTYWFVGTSA-N
XLogP6.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11024926
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
(4R,5S)-1,4-dimethyl-5-phenyl-3-propanoylimidazolidin-2-one
CID 59890448
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430
(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
CID 69265232
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide (CID 24805683) is N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide is CCCC[C@@](C)(C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide?
The InChIKey is FKPYOYXXYFXXDD-PTYWFVGTSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-5-6-22-32(3,28(25-18-12-8-13-19-25)33-29(36)26-20-14-9-15-21-26)30(37)35-27(23(2)34(4)31(35)38)24-16-10-7-11-17-24/h7-21,23,27-28H,5-6,22H2,1-4H3,(H,33,36)/t23-,27-,28+,32+/m0/s1.
What are the key properties of N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide?
N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide has a molecular weight of 511.67 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidine-1-carbonyl]-2-methyl-1-phenylhexyl]benzamide is sourced from PubChem (CID 24805683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).