N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

C21H27N3O3 — CID 46696842

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)C(C)N(c2ccccc2)C1=O)C1CC2CCC1C2
InChIInChI=1S/C21H27N3O3/c1-13(18-11-15-8-9-16(18)10-15)22-19(25)12-23-20(26)14(2)24(21(23)27)17-6-4-3-5-7-17/h3-7,13-16,18H,8-12H2,1-2H3,(H,22,25)
InChIKeyPBQCXPHLNFSISA-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (PubChem CID 46696842) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
PubChem CID46696842
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)C(C)N(c2ccccc2)C1=O)C1CC2CCC1C2
InChIInChI=1S/C21H27N3O3/c1-13(18-11-15-8-9-16(18)10-15)22-19(25)12-23-20(26)14(2)24(21(23)27)17-6-4-3-5-7-17/h3-7,13-16,18H,8-12H2,1-2H3,(H,22,25)
InChIKeyPBQCXPHLNFSISA-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 98161251
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 98756402
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 98296829
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 98750977
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 98306402
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124733154
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 100622378

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (CID 46696842) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is CC(NC(=O)CN1C(=O)C(C)N(c2ccccc2)C1=O)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The InChIKey is PBQCXPHLNFSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(18-11-15-8-9-16(18)10-15)22-19(25)12-23-20(26)14(2)24(21(23)27)17-6-4-3-5-7-17/h3-7,13-16,18H,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46696842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).