4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide

C21H38N2O2 — CID 166370770

IUPAC4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide
SMILESCC(C)CCC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)CC(C)C
InChIInChI=1S/C21H38N2O2/c1-14(2)6-9-20(24)22-16(5)11-17-12-18-7-8-19(13-17)23(18)21(25)10-15(3)4/h14-19H,6-13H2,1-5H3,(H,22,24)
InChIKeyZTFTYTCFFSSEIL-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.13
Rot. Bonds8

About 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide

4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide (PubChem CID 166370770) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide
PubChem CID166370770
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide
SMILESCC(C)CCC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)CC(C)C
InChIInChI=1S/C21H38N2O2/c1-14(2)6-9-20(24)22-16(5)11-17-12-18-7-8-19(13-17)23(18)21(25)10-15(3)4/h14-19H,6-13H2,1-5H3,(H,22,24)
InChIKeyZTFTYTCFFSSEIL-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide?
The IUPAC name of 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide (CID 166370770) is 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide is CC(C)CCC(=O)NC(C)CC1CC2CCC(C1)N2C(=O)CC(C)C.
What is the InChIKey of 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide?
The InChIKey is ZTFTYTCFFSSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-14(2)6-9-20(24)22-16(5)11-17-12-18-7-8-19(13-17)23(18)21(25)10-15(3)4/h14-19H,6-13H2,1-5H3,(H,22,24).
What are the key properties of 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide?
4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide has a molecular weight of 350.55 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[8-(3-methylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]pentanamide is sourced from PubChem (CID 166370770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).