(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide

C24H29N3O4 — CID 95797164

IUPAC(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-26(2)23(29)19-14-27(13-16-9-10-20(30-3)21(11-16)31-4)15-24(19)12-17-7-5-6-8-18(17)22(28)25-24/h5-11,19H,12-15H2,1-4H3,(H,25,28)/t19-,24+/m0/s1
InChIKeyWWYBLGQHJZTKNM-YADARESESA-N
MW423.51 g/mol
LogP1.95
Rot. Bonds5

About (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide

(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide (PubChem CID 95797164) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide
PubChem CID95797164
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-26(2)23(29)19-14-27(13-16-9-10-20(30-3)21(11-16)31-4)15-24(19)12-17-7-5-6-8-18(17)22(28)25-24/h5-11,19H,12-15H2,1-4H3,(H,25,28)/t19-,24+/m0/s1
InChIKeyWWYBLGQHJZTKNM-YADARESESA-N
XLogP1.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-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

(3S,3'R)-N-tert-butyl-1'-[(4-methoxy-3-methylphenyl)methyl]-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide
CID 95797232
ethyl (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-5-oxospiro[2,4-dihydro-1,4-benzoxazepine-3,4'-pyrrolidine]-3'-carboxylate
CID 95797009
(3R,3'S)-1'-[(2,5-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[4,5-dihydro-2H-2-benzazepine-3,4'-pyrrolidine]-3'-carboxamide
CID 95797071
1'-[(3-ethoxy-4-methoxyphenyl)methyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235882
(3R,3'S)-N,N-dimethyl-5-oxo-1'-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-pyrrolidine]-3'-carboxamide
CID 95797041
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879327
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3282435
(3S,3'S)-1'-benzyl-3'-phenylmethoxyspiro[2,4-dihydroisoquinoline-3,4'-piperidine]-1-one
CID 156793456
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56856122

Frequently Asked Questions

What is the IUPAC name of (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide?
The IUPAC name of (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide (CID 95797164) is (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide is COc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cc1OC.
What is the InChIKey of (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide?
The InChIKey is WWYBLGQHJZTKNM-YADARESESA-N. The full InChI is InChI=1S/C24H29N3O4/c1-26(2)23(29)19-14-27(13-16-9-10-20(30-3)21(11-16)31-4)15-24(19)12-17-7-5-6-8-18(17)22(28)25-24/h5-11,19H,12-15H2,1-4H3,(H,25,28)/t19-,24+/m0/s1.
What are the key properties of (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide?
(3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R)-1'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-1-oxospiro[2,4-dihydroisoquinoline-3,4'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 95797164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).