N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C24H26N4O3 — CID 25388473

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1
InChIInChI=1S/C24H26N4O3/c1-27-15-13-25-24(27)23(18-7-11-20(31-2)12-8-18)26-21(29)16-17-5-9-19(10-6-17)28-14-3-4-22(28)30/h5-13,15,23H,3-4,14,16H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyUXTMALSCSMBMHK-HSZRJFAPSA-N
MW418.50 g/mol
LogP3.00
Rot. Bonds7

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 25388473) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID25388473
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1
InChIInChI=1S/C24H26N4O3/c1-27-15-13-25-24(27)23(18-7-11-20(31-2)12-8-18)26-21(29)16-17-5-9-19(10-6-17)28-14-3-4-22(28)30/h5-13,15,23H,3-4,14,16H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyUXTMALSCSMBMHK-HSZRJFAPSA-N
XLogP3.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 25388473) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1ccc([C@@H](NC(=O)Cc2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is UXTMALSCSMBMHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27-15-13-25-24(27)23(18-7-11-20(31-2)12-8-18)26-21(29)16-17-5-9-19(10-6-17)28-14-3-4-22(28)30/h5-13,15,23H,3-4,14,16H2,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25388473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).