N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide

C22H32N2O2 — CID 125321723

IUPACN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NC[C@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O2/c25-21(22(11-15-26-16-12-22)19-8-2-1-3-9-19)23-17-18-7-6-14-24-13-5-4-10-20(18)24/h1-3,8-9,18,20H,4-7,10-17H2,(H,23,25)/t18-,20-/m1/s1
InChIKeyKGFQTAPPTJLANN-UYAOXDASSA-N
MW356.51 g/mol
LogP3.12
Rot. Bonds4

About N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide (PubChem CID 125321723) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
PubChem CID125321723
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NC[C@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O2/c25-21(22(11-15-26-16-12-22)19-8-2-1-3-9-19)23-17-18-7-6-14-24-13-5-4-10-20(18)24/h1-3,8-9,18,20H,4-7,10-17H2,(H,23,25)/t18-,20-/m1/s1
InChIKeyKGFQTAPPTJLANN-UYAOXDASSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-phenyloxane-4-carboxamide
CID 163049358
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-benzamidobenzamide
CID 163070461
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-4-phenyloxane-4-carboxamide
CID 94823320
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide (CID 125321723) is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide is O=C(NC[C@H]1CCCN2CCCC[C@H]12)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is KGFQTAPPTJLANN-UYAOXDASSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(22(11-15-26-16-12-22)19-8-2-1-3-9-19)23-17-18-7-6-14-24-13-5-4-10-20(18)24/h1-3,8-9,18,20H,4-7,10-17H2,(H,23,25)/t18-,20-/m1/s1.
What are the key properties of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide?
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 125321723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).