trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

C30H29N3O4 — CID 24799620

IUPACtrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)N(C)Cc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C30H29N3O4/c1-20-15-22(25-13-6-7-14-27(25)31-20)19-37-24-12-8-11-23(16-24)30(17-26(30)28(34)32-36)29(35)33(2)18-21-9-4-3-5-10-21/h3-16,26,36H,17-19H2,1-2H3,(H,32,34)/t26-,30-/m0/s1
InChIKeyHHOVOSIJHJQMCK-YZNIXAGQSA-N
MW495.58 g/mol
LogP4.54
Rot. Bonds8

About trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24799620) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID24799620
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Nametrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)N(C)Cc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C30H29N3O4/c1-20-15-22(25-13-6-7-14-27(25)31-20)19-37-24-12-8-11-23(16-24)30(17-26(30)28(34)32-36)29(35)33(2)18-21-9-4-3-5-10-21/h3-16,26,36H,17-19H2,1-2H3,(H,32,34)/t26-,30-/m0/s1
InChIKeyHHOVOSIJHJQMCK-YZNIXAGQSA-N
XLogP4.54
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (CID 24799620) is trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(COc2cccc([C@@]3(C(=O)N(C)Cc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is HHOVOSIJHJQMCK-YZNIXAGQSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-20-15-22(25-13-6-7-14-27(25)31-20)19-37-24-12-8-11-23(16-24)30(17-26(30)28(34)32-36)29(35)33(2)18-21-9-4-3-5-10-21/h3-16,26,36H,17-19H2,1-2H3,(H,32,34)/t26-,30-/m0/s1.
What are the key properties of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).