N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide

C24H26N4O6 — CID 41208294

IUPACN-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C24H26N4O6/c1-24(15-9-10-15)22(31)28(23(32)27-24)13-20(29)25-16-11-19(34-3)17(12-18(16)33-2)26-21(30)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t24-/m1/s1
InChIKeyJBNAWNSCCVDSNH-XMMPIXPASA-N
MW466.49 g/mol
LogP2.62
Rot. Bonds8

About N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 41208294) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID41208294
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C24H26N4O6/c1-24(15-9-10-15)22(31)28(23(32)27-24)13-20(29)25-16-11-19(34-3)17(12-18(16)33-2)26-21(30)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t24-/m1/s1
InChIKeyJBNAWNSCCVDSNH-XMMPIXPASA-N
XLogP2.62
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 41208294) is N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O.
What is the InChIKey of N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is JBNAWNSCCVDSNH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O6/c1-24(15-9-10-15)22(31)28(23(32)27-24)13-20(29)25-16-11-19(34-3)17(12-18(16)33-2)26-21(30)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t24-/m1/s1.
What are the key properties of N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 466.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 41208294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).