N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C25H29N3O4 — CID 45356197

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O
InChIInChI=1S/C25H29N3O4/c1-25(15-14-19-9-4-2-5-10-19)23(30)28(24(31)26-25)18-22(29)27(17-21-13-8-16-32-21)20-11-6-3-7-12-20/h2,4-5,8-11,13,16H,3,6-7,12,14-15,17-18H2,1H3,(H,26,31)
InChIKeyQFXXHKWMBMINDI-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.01
Rot. Bonds8

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 45356197) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID45356197
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O
InChIInChI=1S/C25H29N3O4/c1-25(15-14-19-9-4-2-5-10-19)23(30)28(24(31)26-25)18-22(29)27(17-21-13-8-16-32-21)20-11-6-3-7-12-20/h2,4-5,8-11,13,16H,3,6-7,12,14-15,17-18H2,1H3,(H,26,31)
InChIKeyQFXXHKWMBMINDI-UHFFFAOYSA-N
XLogP4.01
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7886306
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
N-(furan-2-ylmethyl)-N-phenyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55443414
N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7170950
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 43027899
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 25354920
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 7875695
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7170707

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 45356197) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CC1(CCc2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is QFXXHKWMBMINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-25(15-14-19-9-4-2-5-10-19)23(30)28(24(31)26-25)18-22(29)27(17-21-13-8-16-32-21)20-11-6-3-7-12-20/h2,4-5,8-11,13,16H,3,6-7,12,14-15,17-18H2,1H3,(H,26,31).
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 45356197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).