N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide

C22H31N3O3 — CID 18398126

IUPACN-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide
SMILESC[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-16(17-10-6-5-7-11-17)25-21(27)19(24-22(25)28)14-15-20(26)23-18-12-8-3-2-4-9-13-18/h5-7,10-11,16,18-19H,2-4,8-9,12-15H2,1H3,(H,23,26)(H,24,28)/t16-,19+/m1/s1
InChIKeyFQNMHNYEBKGYQJ-APWZRJJASA-N
MW385.51 g/mol
LogP3.68
Rot. Bonds6

About N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide

N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide (PubChem CID 18398126) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide
PubChem CID18398126
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide
SMILESC[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-16(17-10-6-5-7-11-17)25-21(27)19(24-22(25)28)14-15-20(26)23-18-12-8-3-2-4-9-13-18/h5-7,10-11,16,18-19H,2-4,8-9,12-15H2,1H3,(H,23,26)(H,24,28)/t16-,19+/m1/s1
InChIKeyFQNMHNYEBKGYQJ-APWZRJJASA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide
CID 51834190
3-[(4R)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-naphthalen-1-ylpropanamide
CID 51833335
3-[(4R)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(4-phenoxyphenyl)propanamide
CID 51836598
3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829656
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 51815621
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-3-phenylpropanamide
CID 53276634
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide?
The IUPAC name of N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide (CID 18398126) is N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide.
What is the SMILES notation for N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide?
The canonical SMILES for N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide is C[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NC2CCCCCCC2)C1=O.
What is the InChIKey of N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide?
The InChIKey is FQNMHNYEBKGYQJ-APWZRJJASA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16(17-10-6-5-7-11-17)25-21(27)19(24-22(25)28)14-15-20(26)23-18-12-8-3-2-4-9-13-18/h5-7,10-11,16,18-19H,2-4,8-9,12-15H2,1H3,(H,23,26)(H,24,28)/t16-,19+/m1/s1.
What are the key properties of N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide?
N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide is sourced from PubChem (CID 18398126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).