(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide

C25H28N4O3 — CID 97264314

IUPAC(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@H](C)c3ccc(C[C@H]4CCCC4=O)cc3)n[nH]2)cc1
InChIInChI=1S/C25H28N4O3/c1-16(19-10-6-17(7-11-19)14-20-4-3-5-22(20)30)24(31)27-25-26-23(28-29-25)15-18-8-12-21(32-2)13-9-18/h6-13,16,20H,3-5,14-15H2,1-2H3,(H2,26,27,28,29,31)/t16-,20-/m1/s1
InChIKeyKSCVBQPYVVREBW-OXQOHEQNSA-N
MW432.52 g/mol
LogP4.06
Rot. Bonds8

About (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide

(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide (PubChem CID 97264314) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
PubChem CID97264314
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@H](C)c3ccc(C[C@H]4CCCC4=O)cc3)n[nH]2)cc1
InChIInChI=1S/C25H28N4O3/c1-16(19-10-6-17(7-11-19)14-20-4-3-5-22(20)30)24(31)27-25-26-23(28-29-25)15-18-8-12-21(32-2)13-9-18/h6-13,16,20H,3-5,14-15H2,1-2H3,(H2,26,27,28,29,31)/t16-,20-/m1/s1
InChIKeyKSCVBQPYVVREBW-OXQOHEQNSA-N
XLogP4.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide with MolForge

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanamide
CID 71703103
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 97266360
(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 97265690
2-[[4-[(2S)-4-methyl-3-oxopentan-2-yl]phenyl]methyl]cyclopentan-1-one
CID 118474303
(2R)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 110204106
(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846639
(2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846636
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
N-ethylethanamine;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 71735846
(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97265889
2-(4-methoxyphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91822345

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The IUPAC name of (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide (CID 97264314) is (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide.
What is the SMILES notation for (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The canonical SMILES for (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide is COc1ccc(Cc2nc(NC(=O)[C@H](C)c3ccc(C[C@H]4CCCC4=O)cc3)n[nH]2)cc1.
What is the InChIKey of (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The InChIKey is KSCVBQPYVVREBW-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(19-10-6-17(7-11-19)14-20-4-3-5-22(20)30)24(31)27-25-26-23(28-29-25)15-18-8-12-21(32-2)13-9-18/h6-13,16,20H,3-5,14-15H2,1-2H3,(H2,26,27,28,29,31)/t16-,20-/m1/s1.
What are the key properties of (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide?
(2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide is sourced from PubChem (CID 97264314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).