5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

C24H39N3O3 — CID 7230501

IUPAC5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C24H39N3O3/c1-5-7-8-19(6-2)23(28)26-20-9-10-22(27-14-11-18(3)12-15-27)21(17-20)24(29)25-13-16-30-4/h9-10,17-19H,5-8,11-16H2,1-4H3,(H,25,29)(H,26,28)/t19-/m1/s1
InChIKeyBRPQFYSGXIJNPY-LJQANCHMSA-N
MW417.59 g/mol
LogP4.45
Rot. Bonds11

About 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide

5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 7230501) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID7230501
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1
InChIInChI=1S/C24H39N3O3/c1-5-7-8-19(6-2)23(28)26-20-9-10-22(27-14-11-18(3)12-15-27)21(17-20)24(29)25-13-16-30-4/h9-10,17-19H,5-8,11-16H2,1-4H3,(H,25,29)(H,26,28)/t19-/m1/s1
InChIKeyBRPQFYSGXIJNPY-LJQANCHMSA-N
XLogP4.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5037076
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751352
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3721229
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(2-phenylbutanoylamino)benzamide
CID 3948470
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5204390

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 7230501) is 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is CCCC[C@@H](CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCOC)c1.
What is the InChIKey of 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is BRPQFYSGXIJNPY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-5-7-8-19(6-2)23(28)26-20-9-10-22(27-14-11-18(3)12-15-27)21(17-20)24(29)25-13-16-30-4/h9-10,17-19H,5-8,11-16H2,1-4H3,(H,25,29)(H,26,28)/t19-/m1/s1.
What are the key properties of 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 417.59 g/mol, XLogP of 4.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 7230501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).