(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C25H37N3O3 — CID 124879694

IUPAC(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O
InChIInChI=1S/C25H37N3O3/c1-26(17-20-9-7-14-27-13-6-5-10-22(20)27)25(30)21-16-24(29)28(18-21)15-12-19-8-3-4-11-23(19)31-2/h3-4,8,11,20-22H,5-7,9-10,12-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKeyVNFOMMRINDCVPS-FDFHNCONSA-N
MW427.59 g/mol
LogP2.81
Rot. Bonds7

About (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124879694) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124879694
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O
InChIInChI=1S/C25H37N3O3/c1-26(17-20-9-7-14-27-13-6-5-10-22(20)27)25(30)21-16-24(29)28(18-21)15-12-19-8-3-4-11-23(19)31-2/h3-4,8,11,20-22H,5-7,9-10,12-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKeyVNFOMMRINDCVPS-FDFHNCONSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 124879287
(3R)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 129490702
(3R)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129490756
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 124939225
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-benzyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 126417555
(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 124874295
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 110204117

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 124879694) is (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O.
What is the InChIKey of (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VNFOMMRINDCVPS-FDFHNCONSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-26(17-20-9-7-14-27-13-6-5-10-22(20)27)25(30)21-16-24(29)28(18-21)15-12-19-8-3-4-11-23(19)31-2/h3-4,8,11,20-22H,5-7,9-10,12-18H2,1-2H3/t20-,21-,22+/m0/s1.
What are the key properties of (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124879694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).