2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide

C20H30N4O2 — CID 55683583

IUPAC2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)C(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C20H30N4O2/c1-5-24(6-2)14(3)12-22-20(26)19(23-15(4)25)11-16-13-21-18-10-8-7-9-17(16)18/h7-10,13-14,19,21H,5-6,11-12H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyYBIIEKWFBHXKLO-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.06
Rot. Bonds9

About 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55683583) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55683583
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)C(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C20H30N4O2/c1-5-24(6-2)14(3)12-22-20(26)19(23-15(4)25)11-16-13-21-18-10-8-7-9-17(16)18/h7-10,13-14,19,21H,5-6,11-12H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyYBIIEKWFBHXKLO-UHFFFAOYSA-N
XLogP2.06
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2R)-2-acetamido-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25478052
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
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-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
CID 166306258

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide (CID 55683583) is 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide is CCN(CC)C(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YBIIEKWFBHXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-24(6-2)14(3)12-22-20(26)19(23-15(4)25)11-16-13-21-18-10-8-7-9-17(16)18/h7-10,13-14,19,21H,5-6,11-12H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55683583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).