2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide

C25H30N2O2 — CID 24845914

IUPAC2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide
SMILESCc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCCC12
InChIInChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)
InChIKeyUYQFMKJXWOUBBI-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.82
Rot. Bonds5

About 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide (PubChem CID 24845914) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide
PubChem CID24845914
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide
SMILESCc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCCC12
InChIInChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)
InChIKeyUYQFMKJXWOUBBI-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide with MolForge

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Related Compounds

2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 3074823
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-benzamidobenzamide
CID 163070461
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl N-benzoylcarbamate
CID 11894603
N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368842
N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110863034
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119759904
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
4-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-3-methylbenzamide
CID 98366787
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide?
The IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide (CID 24845914) is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide is Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCCC12.
What is the InChIKey of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide?
The InChIKey is UYQFMKJXWOUBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28).
What are the key properties of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide?
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-N-(4-benzoyl-2-methylphenyl)acetamide is sourced from PubChem (CID 24845914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).