N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride

C19H29ClN2O — CID 119455950

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
SMILESCCC(C)C(C(=O)NC1CC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-3-13(2)18(14-7-5-4-6-8-14)19(22)21-17-11-15-9-10-16(12-17)20-15;/h4-8,13,15-18,20H,3,9-12H2,1-2H3,(H,21,22);1H
InChIKeyHVLQXPWVCYTRTL-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.64
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride (PubChem CID 119455950) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
PubChem CID119455950
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
SMILESCCC(C)C(C(=O)NC1CC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-3-13(2)18(14-7-5-4-6-8-14)19(22)21-17-11-15-9-10-16(12-17)20-15;/h4-8,13,15-18,20H,3,9-12H2,1-2H3,(H,21,22);1H
InChIKeyHVLQXPWVCYTRTL-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylsulfanylbutanamide;hydrochloride
CID 119457312
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
CID 104957118
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide
CID 114301195
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
3-methyl-2-phenyl-N-(3-phenylpiperidin-4-yl)pentanamide
CID 91573453
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride (CID 119455950) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride is CCC(C)C(C(=O)NC1CC2CCC(C1)N2)c1ccccc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride?
The InChIKey is HVLQXPWVCYTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-3-13(2)18(14-7-5-4-6-8-14)19(22)21-17-11-15-9-10-16(12-17)20-15;/h4-8,13,15-18,20H,3,9-12H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride is sourced from PubChem (CID 119455950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).