3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide

C22H27N3O — CID 78892036

IUPAC3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)NC(CN2CCCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-17-15-25(21-12-6-5-11-19(17)21)22(26)23-20(16-24-13-7-8-14-24)18-9-3-2-4-10-18/h2-6,9-12,17,20H,7-8,13-16H2,1H3,(H,23,26)
InChIKeyIKNCIVYFFBNYGX-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide

3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 78892036) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID78892036
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)NC(CN2CCCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N3O/c1-17-15-25(21-12-6-5-11-19(17)21)22(26)23-20(16-24-13-7-8-14-24)18-9-3-2-4-10-18/h2-6,9-12,17,20H,7-8,13-16H2,1H3,(H,23,26)
InChIKeyIKNCIVYFFBNYGX-UHFFFAOYSA-N
XLogP4.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
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2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57193315
2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
CID 111536713
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide (CID 78892036) is 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide is CC1CN(C(=O)NC(CN2CCCC2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is IKNCIVYFFBNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-15-25(21-12-6-5-11-19(17)21)22(26)23-20(16-24-13-7-8-14-24)18-9-3-2-4-10-18/h2-6,9-12,17,20H,7-8,13-16H2,1H3,(H,23,26).
What are the key properties of 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide?
3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 78892036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).