N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide

C29H31ClN6O4 — CID 3999658

IUPACN-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)N(O)C2N(c3ccc(C)cc3)C(=O)N(CC(=O)NN=Cc3ccc(Cl)cc3)C2(C)C)cc1
InChIInChI=1S/C29H31ClN6O4/c1-19-5-13-23(14-6-19)32-27(38)36(40)26-29(3,4)34(28(39)35(26)24-15-7-20(2)8-16-24)18-25(37)33-31-17-21-9-11-22(30)12-10-21/h5-17,26,40H,18H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyDOPJRSOQGDJNDZ-UHFFFAOYSA-N
MW563.06 g/mol
LogP5.38
Rot. Bonds7

About N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide

N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 3999658) has the molecular formula C29H31ClN6O4 and a molecular weight of 563.06 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
PubChem CID3999658
Molecular FormulaC29H31ClN6O4
Molecular Weight563.06 g/mol
Exact Mass562.21
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)N(O)C2N(c3ccc(C)cc3)C(=O)N(CC(=O)NN=Cc3ccc(Cl)cc3)C2(C)C)cc1
InChIInChI=1S/C29H31ClN6O4/c1-19-5-13-23(14-6-19)32-27(38)36(40)26-29(3,4)34(28(39)35(26)24-15-7-20(2)8-16-24)18-25(37)33-31-17-21-9-11-22(30)12-10-21/h5-17,26,40H,18H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyDOPJRSOQGDJNDZ-UHFFFAOYSA-N
XLogP5.38
TPSA117.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.06
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
CID 134140577
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126
5-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 3653611
2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
CID 2829484
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444
5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
CID 98307424
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
2-[3-[6-[2-chloro-5-[[[3-(4-chlorophenyl)-1-[2-hydroxy-2-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-hydroxycarbamoyl]amino]phenyl]naphthalen-1-yl]-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
CID 143747756
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide (CID 3999658) is N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)N(O)C2N(c3ccc(C)cc3)C(=O)N(CC(=O)NN=Cc3ccc(Cl)cc3)C2(C)C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is DOPJRSOQGDJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN6O4/c1-19-5-13-23(14-6-19)32-27(38)36(40)26-29(3,4)34(28(39)35(26)24-15-7-20(2)8-16-24)18-25(37)33-31-17-21-9-11-22(30)12-10-21/h5-17,26,40H,18H2,1-4H3,(H,32,38)(H,33,37).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 563.06 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).