(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

C25H32N4O2 — CID 25478052

IUPAC(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1
InChIInChI=1S/C25H32N4O2/c1-5-18-10-12-19(13-11-18)24(29(3)4)16-27-25(31)23(28-17(2)30)14-20-15-26-22-9-7-6-8-21(20)22/h6-13,15,23-24,26H,5,14,16H2,1-4H3,(H,27,31)(H,28,30)/t23-,24-/m1/s1
InChIKeyPILMHKQQMRAWJD-DNQXCXABSA-N
MW420.56 g/mol
LogP3.20
Rot. Bonds9

About (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 25478052) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID25478052
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1
InChIInChI=1S/C25H32N4O2/c1-5-18-10-12-19(13-11-18)24(29(3)4)16-27-25(31)23(28-17(2)30)14-20-15-26-22-9-7-6-8-21(20)22/h6-13,15,23-24,26H,5,14,16H2,1-4H3,(H,27,31)(H,28,30)/t23-,24-/m1/s1
InChIKeyPILMHKQQMRAWJD-DNQXCXABSA-N
XLogP3.20
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)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

2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35352621
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 55636976

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 25478052) is (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is CCc1ccc([C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)N(C)C)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is PILMHKQQMRAWJD-DNQXCXABSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-18-10-12-19(13-11-18)24(29(3)4)16-27-25(31)23(28-17(2)30)14-20-15-26-22-9-7-6-8-21(20)22/h6-13,15,23-24,26H,5,14,16H2,1-4H3,(H,27,31)(H,28,30)/t23-,24-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 420.56 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 25478052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).