N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride

C18H27ClN2O2 — CID 119457110

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
SMILESCc1cccc(OCCCC(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-4-2-5-17(10-13)22-9-3-6-18(21)20-16-11-14-7-8-15(12-16)19-14;/h2,4-5,10,14-16,19H,3,6-9,11-12H2,1H3,(H,20,21);1H
InChIKeyBRWFTNCCWGLYSA-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.98
Rot. Bonds6

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride (PubChem CID 119457110) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
PubChem CID119457110
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
SMILESCc1cccc(OCCCC(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-4-2-5-17(10-13)22-9-3-6-18(21)20-16-11-14-7-8-15(12-16)19-14;/h2,4-5,10,14-16,19H,3,6-9,11-12H2,1H3,(H,20,21);1H
InChIKeyBRWFTNCCWGLYSA-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide
CID 119459544
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
CID 119459385
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride (CID 119457110) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride is Cc1cccc(OCCCC(=O)NC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The InChIKey is BRWFTNCCWGLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-4-2-5-17(10-13)22-9-3-6-18(21)20-16-11-14-7-8-15(12-16)19-14;/h2,4-5,10,14-16,19H,3,6-9,11-12H2,1H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119457110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).