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

C21H29F2N3O2 — CID 75411891

IUPAC(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C21H29F2N3O2/c1-26-13-19(24-11-14-5-6-14)4-2-3-16(9-20(26)27)21(28)25-12-15-7-17(22)10-18(23)8-15/h7-8,10,14,16,19,24H,2-6,9,11-13H2,1H3,(H,25,28)/t16-,19-/m1/s1
InChIKeyDSSCLTIVLAXSQG-VQIMIIECSA-N
MW393.48 g/mol
LogP2.60
Rot. Bonds6

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

(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411891) has the molecular formula C21H29F2N3O2 and a molecular weight of 393.48 g/mol. Its IUPAC name is (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411891
Molecular FormulaC21H29F2N3O2
Molecular Weight393.48 g/mol
Exact Mass393.22
IUPAC Name(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C21H29F2N3O2/c1-26-13-19(24-11-14-5-6-14)4-2-3-16(9-20(26)27)21(28)25-12-15-7-17(22)10-18(23)8-15/h7-8,10,14,16,19,24H,2-6,9,11-13H2,1H3,(H,25,28)/t16-,19-/m1/s1
InChIKeyDSSCLTIVLAXSQG-VQIMIIECSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
CID 162808112
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
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
8-[(4-fluorophenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 162873431
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
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162983100
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide (CID 75411891) is (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide is CN1C[C@H](NCC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O.
What is the InChIKey of (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is DSSCLTIVLAXSQG-VQIMIIECSA-N. The full InChI is InChI=1S/C21H29F2N3O2/c1-26-13-19(24-11-14-5-6-14)4-2-3-16(9-20(26)27)21(28)25-12-15-7-17(22)10-18(23)8-15/h7-8,10,14,16,19,24H,2-6,9,11-13H2,1H3,(H,25,28)/t16-,19-/m1/s1.
What are the key properties of (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).