N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride

C18H27ClN2O — CID 119455766

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CC3CCC(C2)N3)c(C)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-12-3-4-14(13(2)9-12)5-8-18(21)20-17-10-15-6-7-16(11-17)19-15;/h3-4,9,15-17,19H,5-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyBJYYWKSDJKLWDZ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.06
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride (PubChem CID 119455766) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
PubChem CID119455766
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CC3CCC(C2)N3)c(C)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-12-3-4-14(13(2)9-12)5-8-18(21)20-17-10-15-6-7-16(11-17)19-15;/h3-4,9,15-17,19H,5-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyBJYYWKSDJKLWDZ-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
CID 75267874
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
2-[cyclopropylmethyl-[3-[3-(2,4-dimethylphenyl)propanoylamino]cyclobutyl]amino]acetic acid
CID 129005509
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride (CID 119455766) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NC2CC3CCC(C2)N3)c(C)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is BJYYWKSDJKLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-12-3-4-14(13(2)9-12)5-8-18(21)20-17-10-15-6-7-16(11-17)19-15;/h3-4,9,15-17,19H,5-8,10-11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.06, 4 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-(2,4-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119455766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).