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

C23H35N3O4 — CID 75411878

IUPAC(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCOc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)c1
InChIInChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-5-3-8-21(13-17)29-2)7-4-6-18(14-22(26)27)23(28)25-19-9-11-30-12-10-19/h3,5,8,13,18-20,24H,4,6-7,9-12,14-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1
InChIKeyCPFHFLIKDJSPOW-UYAOXDASSA-N
MW417.55 g/mol
LogP2.10
Rot. Bonds6

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

(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (PubChem CID 75411878) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
PubChem CID75411878
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCOc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)c1
InChIInChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-5-3-8-21(13-17)29-2)7-4-6-18(14-22(26)27)23(28)25-19-9-11-30-12-10-19/h3,5,8,13,18-20,24H,4,6-7,9-12,14-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1
InChIKeyCPFHFLIKDJSPOW-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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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (CID 75411878) is (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CCOCC3)CC(=O)N(C)C2)c1.
What is the InChIKey of (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is CPFHFLIKDJSPOW-UYAOXDASSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-26-16-20(24-15-17-5-3-8-21(13-17)29-2)7-4-6-18(14-22(26)27)23(28)25-19-9-11-30-12-10-19/h3,5,8,13,18-20,24H,4,6-7,9-12,14-16H2,1-2H3,(H,25,28)/t18-,20-/m1/s1.
What are the key properties of (4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
(4R,8R)-8-[(3-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-[(3-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).