N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide

C21H30N2O — CID 51005782

IUPACN-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
SMILESCCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C21H30N2O/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17/h10-13,18-19H,5-9,14H2,1-4H3/t18-,19-/m1/s1
InChIKeyGNYZYYFKNNJUQR-RTBURBONSA-N
MW326.48 g/mol
LogP4.30
Rot. Bonds5

About N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide

N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide (PubChem CID 51005782) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide.

Molecular Properties

Compound NameN-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
PubChem CID51005782
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
SMILESCCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@H](C1)N2C
InChIInChI=1S/C21H30N2O/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17/h10-13,18-19H,5-9,14H2,1-4H3/t18-,19-/m1/s1
InChIKeyGNYZYYFKNNJUQR-RTBURBONSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide?
The IUPAC name of N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide (CID 51005782) is N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide.
What is the SMILES notation for N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide?
The canonical SMILES for N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide is CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@H](C1)N2C.
What is the InChIKey of N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide?
The InChIKey is GNYZYYFKNNJUQR-RTBURBONSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17/h10-13,18-19H,5-9,14H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide?
N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide has a molecular weight of 326.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide is sourced from PubChem (CID 51005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).