(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide

C25H31F2N3O3 — CID 75411890

IUPAC(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)cc1
InChIInChI=1S/C25H31F2N3O3/c1-30-16-22(28-14-17-6-8-23(33-2)9-7-17)5-3-4-19(12-24(30)31)25(32)29-15-18-10-20(26)13-21(27)11-18/h6-11,13,19,22,28H,3-5,12,14-16H2,1-2H3,(H,29,32)/t19-,22-/m1/s1
InChIKeyUXHGZUIDXWIABW-DENIHFKCSA-N
MW459.54 g/mol
LogP3.40
Rot. Bonds7

About (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411890) has the molecular formula C25H31F2N3O3 and a molecular weight of 459.54 g/mol. Its IUPAC name is (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411890
Molecular FormulaC25H31F2N3O3
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Name(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)cc1
InChIInChI=1S/C25H31F2N3O3/c1-30-16-22(28-14-17-6-8-23(33-2)9-7-17)5-3-4-19(12-24(30)31)25(32)29-15-18-10-20(26)13-21(27)11-18/h6-11,13,19,22,28H,3-5,12,14-16H2,1-2H3,(H,29,32)/t19-,22-/m1/s1
InChIKeyUXHGZUIDXWIABW-DENIHFKCSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide with MolForge

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Related Compounds

(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411891
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
CID 86770824
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
CID 162808112
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658
(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75411872
8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 162873431
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 162798634
8-(1,3-benzodioxole-5-carbonylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 162809554
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide (CID 75411890) is (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide is COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)cc1.
What is the InChIKey of (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is UXHGZUIDXWIABW-DENIHFKCSA-N. The full InChI is InChI=1S/C25H31F2N3O3/c1-30-16-22(28-14-17-6-8-23(33-2)9-7-17)5-3-4-19(12-24(30)31)25(32)29-15-18-10-20(26)13-21(27)11-18/h6-11,13,19,22,28H,3-5,12,14-16H2,1-2H3,(H,29,32)/t19-,22-/m1/s1.
What are the key properties of (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).