1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

C22H27N3O2 — CID 134808150

IUPAC1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCOCCN1CCC2(C1)CN(C)c1ccc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C22H27N3O2/c1-24-15-22(10-11-25(16-22)12-13-27-2)19-14-17(8-9-20(19)24)21(26)23-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNBYOBYNISKYUHU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.98
Rot. Bonds5

About 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (PubChem CID 134808150) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
PubChem CID134808150
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCOCCN1CCC2(C1)CN(C)c1ccc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C22H27N3O2/c1-24-15-22(10-11-25(16-22)12-13-27-2)19-14-17(8-9-20(19)24)21(26)23-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNBYOBYNISKYUHU-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134806758
1-(cyclopropylmethyl)-1'-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134807365
1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134809745
1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805058
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide
CID 54464525
4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
CID 91894681
3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
CID 102242056

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The IUPAC name of 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (CID 134808150) is 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.
What is the SMILES notation for 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The canonical SMILES for 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is COCCN1CCC2(C1)CN(C)c1ccc(C(=O)Nc3ccccc3)cc12.
What is the InChIKey of 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The InChIKey is NBYOBYNISKYUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-15-22(10-11-25(16-22)12-13-27-2)19-14-17(8-9-20(19)24)21(26)23-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is sourced from PubChem (CID 134808150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).