4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide

C21H38N2O2 — CID 166370520

IUPAC4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
SMILESCC(C)CCCC(=O)N1[C@@H]2CC[C@H]1CC(CNC(=O)CCC(C)C)C2
InChIInChI=1S/C21H38N2O2/c1-15(2)6-5-7-21(25)23-18-9-10-19(23)13-17(12-18)14-22-20(24)11-8-16(3)4/h15-19H,5-14H2,1-4H3,(H,22,24)/t17?,18-,19+
InChIKeyXNZUZXSGANQJRZ-YQQQUEKLSA-N
MW350.55 g/mol
LogP4.13
Rot. Bonds9

About 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide

4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide (PubChem CID 166370520) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
PubChem CID166370520
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
SMILESCC(C)CCCC(=O)N1[C@@H]2CC[C@H]1CC(CNC(=O)CCC(C)C)C2
InChIInChI=1S/C21H38N2O2/c1-15(2)6-5-7-21(25)23-18-9-10-19(23)13-17(12-18)14-22-20(24)11-8-16(3)4/h15-19H,5-14H2,1-4H3,(H,22,24)/t17?,18-,19+
InChIKeyXNZUZXSGANQJRZ-YQQQUEKLSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide with MolForge

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide
CID 166370770
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
4-hydroxy-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 79192626
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide?
The IUPAC name of 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide (CID 166370520) is 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide?
The canonical SMILES for 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide is CC(C)CCCC(=O)N1[C@@H]2CC[C@H]1CC(CNC(=O)CCC(C)C)C2.
What is the InChIKey of 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide?
The InChIKey is XNZUZXSGANQJRZ-YQQQUEKLSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-15(2)6-5-7-21(25)23-18-9-10-19(23)13-17(12-18)14-22-20(24)11-8-16(3)4/h15-19H,5-14H2,1-4H3,(H,22,24)/t17?,18-,19+.
What are the key properties of 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide?
4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide has a molecular weight of 350.55 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide is sourced from PubChem (CID 166370520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).