(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide

C29H33N3O2 — CID 93119955

IUPAC(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCn1cc([C@H](CC(=O)NCCN(C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C29H33N3O2/c1-4-32-21-27(25-15-8-9-16-28(25)32)26(20-29(33)30-17-18-31(2)3)22-11-10-14-24(19-22)34-23-12-6-5-7-13-23/h5-16,19,21,26H,4,17-18,20H2,1-3H3,(H,30,33)/t26-/m1/s1
InChIKeyINFYYDBXROIOSW-AREMUKBSSA-N
MW455.60 g/mol
LogP5.65
Rot. Bonds10

About (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide

(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 93119955) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
PubChem CID93119955
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
SMILESCCn1cc([C@H](CC(=O)NCCN(C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C29H33N3O2/c1-4-32-21-27(25-15-8-9-16-28(25)32)26(20-29(33)30-17-18-31(2)3)22-11-10-14-24(19-22)34-23-12-6-5-7-13-23/h5-16,19,21,26H,4,17-18,20H2,1-3H3,(H,30,33)/t26-/m1/s1
InChIKeyINFYYDBXROIOSW-AREMUKBSSA-N
XLogP5.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide 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

N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83277982
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 98438529
(3R)-3-(1,7-diethylindol-3-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(3-phenoxyphenyl)propanamide
CID 129428058
3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(2-phenylethyl)propanamide
CID 42801311
(3S)-3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 98412228
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 93120105
N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
CID 42801322
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide (CID 93119955) is (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide is CCn1cc([C@H](CC(=O)NCCN(C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21.
What is the InChIKey of (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is INFYYDBXROIOSW-AREMUKBSSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-4-32-21-27(25-15-8-9-16-28(25)32)26(20-29(33)30-17-18-31(2)3)22-11-10-14-24(19-22)34-23-12-6-5-7-13-23/h5-16,19,21,26H,4,17-18,20H2,1-3H3,(H,30,33)/t26-/m1/s1.
What are the key properties of (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide?
(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 455.60 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 93119955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).