N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C20H25N3O3 — CID 98845228

IUPACN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H25N3O3/c24-18-11-22-20(26)23(18)12-14-2-1-3-17(10-14)19(25)21-7-6-16-9-13-4-5-15(16)8-13/h1-3,10,13,15-16H,4-9,11-12H2,(H,21,25)(H,22,26)/t13-,15-,16+/m0/s1
InChIKeyHQXBOADYQGICBX-CWRNSKLLSA-N
MW355.44 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 98845228) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID98845228
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H25N3O3/c24-18-11-22-20(26)23(18)12-14-2-1-3-17(10-14)19(25)21-7-6-16-9-13-4-5-15(16)8-13/h1-3,10,13,15-16H,4-9,11-12H2,(H,21,25)(H,22,26)/t13-,15-,16+/m0/s1
InChIKeyHQXBOADYQGICBX-CWRNSKLLSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 98845228) is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is HQXBOADYQGICBX-CWRNSKLLSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-18-11-22-20(26)23(18)12-14-2-1-3-17(10-14)19(25)21-7-6-16-9-13-4-5-15(16)8-13/h1-3,10,13,15-16H,4-9,11-12H2,(H,21,25)(H,22,26)/t13-,15-,16+/m0/s1.
What are the key properties of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 98845228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).