N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide

C19H27N3O2 — CID 119685267

IUPACN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H27N3O2/c1-12(2)19(24)22-15-5-3-14(4-6-15)21-18(23)11-13-9-16-7-8-17(10-13)20-16/h3-6,12-13,16-17,20H,7-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAEKPHVDXUOCWEZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.14
Rot. Bonds5

About N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 119685267) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID119685267
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H27N3O2/c1-12(2)19(24)22-15-5-3-14(4-6-15)21-18(23)11-13-9-16-7-8-17(10-13)20-16/h3-6,12-13,16-17,20H,7-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAEKPHVDXUOCWEZ-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119685749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide;dihydrochloride
CID 119848911
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide (CID 119685267) is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is AEKPHVDXUOCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)19(24)22-15-5-3-14(4-6-15)21-18(23)11-13-9-16-7-8-17(10-13)20-16/h3-6,12-13,16-17,20H,7-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 119685267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).