(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C26H33N3O3 — CID 92959586

IUPAC(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H33N3O3/c1-28-18-24(22-8-4-5-9-25(22)28)23(19-14-20(31-2)16-21(15-19)32-3)17-26(30)27-10-13-29-11-6-7-12-29/h4-5,8-9,14-16,18,23H,6-7,10-13,17H2,1-3H3,(H,27,30)/t23-/m0/s1
InChIKeyDUPZTOIUFROGMW-QHCPKHFHSA-N
MW435.57 g/mol
LogP3.93
Rot. Bonds9

About (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 92959586) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID92959586
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H33N3O3/c1-28-18-24(22-8-4-5-9-25(22)28)23(19-14-20(31-2)16-21(15-19)32-3)17-26(30)27-10-13-29-11-6-7-12-29/h4-5,8-9,14-16,18,23H,6-7,10-13,17H2,1-3H3,(H,27,30)/t23-/m0/s1
InChIKeyDUPZTOIUFROGMW-QHCPKHFHSA-N
XLogP3.93
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
(3R)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 98437111
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 92959586) is (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is COc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is DUPZTOIUFROGMW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-28-18-24(22-8-4-5-9-25(22)28)23(19-14-20(31-2)16-21(15-19)32-3)17-26(30)27-10-13-29-11-6-7-12-29/h4-5,8-9,14-16,18,23H,6-7,10-13,17H2,1-3H3,(H,27,30)/t23-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 92959586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).