N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C25H25N3O7 — CID 41284978

IUPACN-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1cc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc(OC)c1
InChIInChI=1S/C25H25N3O7/c1-32-18-7-4-6-17(12-18)28-24(30)22(27(25(28)31)15-19-8-5-9-35-19)14-23(29)26-16-10-20(33-2)13-21(11-16)34-3/h4-13,22H,14-15H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyXTXDONUAWNUPOW-QFIPXVFZSA-N
MW479.49 g/mol
LogP3.67
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 41284978) has the molecular formula C25H25N3O7 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID41284978
Molecular FormulaC25H25N3O7
Molecular Weight479.49 g/mol
Exact Mass479.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1cc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc(OC)c1
InChIInChI=1S/C25H25N3O7/c1-32-18-7-4-6-17(12-18)28-24(30)22(27(25(28)31)15-19-8-5-9-35-19)14-23(29)26-16-10-20(33-2)13-21(11-16)34-3/h4-13,22H,14-15H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyXTXDONUAWNUPOW-QFIPXVFZSA-N
XLogP3.67
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 5023637
N-(3,5-dimethoxyphenyl)-2-[(4R)-3-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284981
2-[(4R)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40774510
N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 92742879
2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 28776976
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 17118474
N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28873979
N-(3,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 46276936
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503
2-[(4S)-3-(furan-2-ylmethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7340934
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774523

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 41284978) is N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1cc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is XTXDONUAWNUPOW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N3O7/c1-32-18-7-4-6-17(12-18)28-24(30)22(27(25(28)31)15-19-8-5-9-35-19)14-23(29)26-16-10-20(33-2)13-21(11-16)34-3/h4-13,22H,14-15H2,1-3H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 479.49 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(4S)-3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 41284978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).