(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide

C23H35N3O4 — CID 75411880

IUPAC(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)cc1
InChIInChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-6-8-21(29-2)9-7-17)5-3-4-18(14-22(26)27)23(28)25-19-10-12-30-13-11-19/h6-9,18-20,24H,3-5,10-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1
InChIKeyJKRXJRXJUHMEHP-UYAOXDASSA-N
MW417.55 g/mol
LogP2.10
Rot. Bonds6

About (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide

(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (PubChem CID 75411880) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
PubChem CID75411880
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)cc1
InChIInChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-6-8-21(29-2)9-7-17)5-3-4-18(14-22(26)27)23(28)25-19-10-12-30-13-11-19/h6-9,18-20,24H,3-5,10-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1
InChIKeyJKRXJRXJUHMEHP-UYAOXDASSA-N
XLogP2.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 162873431
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
CID 86770824
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
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
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
(3S)-1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 95282393
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (CID 75411880) is (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)cc1.
What is the InChIKey of (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is JKRXJRXJUHMEHP-UYAOXDASSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-6-8-21(29-2)9-7-17)5-3-4-18(14-22(26)27)23(28)25-19-10-12-30-13-11-19/h6-9,18-20,24H,3-5,10-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1.
What are the key properties of (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).