3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide

C24H31N3O3 — CID 40890098

IUPAC3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1
InChIInChI=1S/C24H31N3O3/c1-26-11-8-18-12-17(6-7-22(18)26)23(27-9-4-5-10-27)16-25-24(28)19-13-20(29-2)15-21(14-19)30-3/h6-7,12-15,23H,4-5,8-11,16H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyDMJCRIKXPQCNKY-HSZRJFAPSA-N
MW409.53 g/mol
LogP3.26
Rot. Bonds7

About 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide

3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 40890098) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID40890098
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1
InChIInChI=1S/C24H31N3O3/c1-26-11-8-18-12-17(6-7-22(18)26)23(27-9-4-5-10-27)16-25-24(28)19-13-20(29-2)15-21(14-19)30-3/h6-7,12-15,23H,4-5,8-11,16H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyDMJCRIKXPQCNKY-HSZRJFAPSA-N
XLogP3.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16802048
N-[(4-methoxyphenyl)methyl]-N'-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 16801998
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40890602
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 40890198
4-bromo-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27369685
1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
CID 51696853
4-bromo-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30575996
2-(4-methoxyphenoxy)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40949003
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40948997
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 40890280
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
CID 51696842

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 40890098) is 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is DMJCRIKXPQCNKY-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-11-8-18-12-17(6-7-22(18)26)23(27-9-4-5-10-27)16-25-24(28)19-13-20(29-2)15-21(14-19)30-3/h6-7,12-15,23H,4-5,8-11,16H2,1-3H3,(H,25,28)/t23-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide?
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 40890098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).