(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide

C26H26N4O6 — CID 41186728

IUPAC(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C26H26N4O6/c1-16-5-7-17(8-6-16)23(25(33)27-18-9-11-19(35-2)12-10-18)30(15-20-4-3-13-36-20)22(31)14-21-24(32)29-26(34)28-21/h3-13,21,23H,14-15H2,1-2H3,(H,27,33)(H2,28,29,32,34)/t21-,23-/m0/s1
InChIKeyAUVHKBLWFPOIHO-GMAHTHKFSA-N
MW490.52 g/mol
LogP2.90
Rot. Bonds9

About (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide

(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide (PubChem CID 41186728) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
PubChem CID41186728
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C26H26N4O6/c1-16-5-7-17(8-6-16)23(25(33)27-18-9-11-19(35-2)12-10-18)30(15-20-4-3-13-36-20)22(31)14-21-24(32)29-26(34)28-21/h3-13,21,23H,14-15H2,1-2H3,(H,27,33)(H2,28,29,32,34)/t21-,23-/m0/s1
InChIKeyAUVHKBLWFPOIHO-GMAHTHKFSA-N
XLogP2.90
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide (CID 41186728) is (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide is COc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1.
What is the InChIKey of (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide?
The InChIKey is AUVHKBLWFPOIHO-GMAHTHKFSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-16-5-7-17(8-6-16)23(25(33)27-18-9-11-19(35-2)12-10-18)30(15-20-4-3-13-36-20)22(31)14-21-24(32)29-26(34)28-21/h3-13,21,23H,14-15H2,1-2H3,(H,27,33)(H2,28,29,32,34)/t21-,23-/m0/s1.
What are the key properties of (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide?
(2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide has a molecular weight of 490.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 41186728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).