N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide

C24H27N3O4 — CID 7487271

IUPACN-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H27N3O4/c1-16(2)13-14-24(3)22(30)27(23(31)26-24)15-20(28)17-9-11-19(12-10-17)25-21(29)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyXUPHCRQRDDHASR-XMMPIXPASA-N
MW421.50 g/mol
LogP3.87
Rot. Bonds8

About N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide

N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide (PubChem CID 7487271) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide
PubChem CID7487271
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H27N3O4/c1-16(2)13-14-24(3)22(30)27(23(31)26-24)15-20(28)17-9-11-19(12-10-17)25-21(29)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyXUPHCRQRDDHASR-XMMPIXPASA-N
XLogP3.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7180713
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804619
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750
[2-(4-acetylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011116
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
N-[4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804583

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide (CID 7487271) is N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide is CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1=O.
What is the InChIKey of N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide?
The InChIKey is XUPHCRQRDDHASR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)13-14-24(3)22(30)27(23(31)26-24)15-20(28)17-9-11-19(12-10-17)25-21(29)18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1.
What are the key properties of N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide?
N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide is sourced from PubChem (CID 7487271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).