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

C22H32FN3O3 — CID 162873431

IUPAC8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCN1CC(NCc2ccc(F)cc2)CCCC(C(=O)NC2CCOCC2)CC1=O
InChIInChI=1S/C22H32FN3O3/c1-26-15-20(24-14-16-5-7-18(23)8-6-16)4-2-3-17(13-21(26)27)22(28)25-19-9-11-29-12-10-19/h5-8,17,19-20,24H,2-4,9-15H2,1H3,(H,25,28)
InChIKeyNYRBMHCRJPTIDT-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.23
Rot. Bonds5

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

8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (PubChem CID 162873431) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
PubChem CID162873431
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
SMILESCN1CC(NCc2ccc(F)cc2)CCCC(C(=O)NC2CCOCC2)CC1=O
InChIInChI=1S/C22H32FN3O3/c1-26-15-20(24-14-16-5-7-18(23)8-6-16)4-2-3-17(13-21(26)27)22(28)25-19-9-11-29-12-10-19/h5-8,17,19-20,24H,2-4,9-15H2,1H3,(H,25,28)
InChIKeyNYRBMHCRJPTIDT-UHFFFAOYSA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411891
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
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
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
CID 162808112
8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162983100
8-(1,3-benzodioxole-5-carbonylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 162809554
(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411811

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide (CID 162873431) is 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is CN1CC(NCc2ccc(F)cc2)CCCC(C(=O)NC2CCOCC2)CC1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is NYRBMHCRJPTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-26-15-20(24-14-16-5-7-18(23)8-6-16)4-2-3-17(13-21(26)27)22(28)25-19-9-11-29-12-10-19/h5-8,17,19-20,24H,2-4,9-15H2,1H3,(H,25,28).
What are the key properties of 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide?
8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162873431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).