2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide

C22H22N4O2 — CID 47086404

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C22H22N4O2/c1-14(27)25-21(11-16-12-23-20-9-5-3-7-18(16)20)22(28)24-13-17-10-15-6-2-4-8-19(15)26-17/h2-10,12,21,23,26H,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyLAALZGYSHLTHSY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.01
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide

2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide (PubChem CID 47086404) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
PubChem CID47086404
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C22H22N4O2/c1-14(27)25-21(11-16-12-23-20-9-5-3-7-18(16)20)22(28)24-13-17-10-15-6-2-4-8-19(15)26-17/h2-10,12,21,23,26H,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyLAALZGYSHLTHSY-UHFFFAOYSA-N
XLogP3.01
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
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CID 78790797
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 55815927
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 55636976
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide (CID 47086404) is 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide?
The InChIKey is LAALZGYSHLTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(27)25-21(11-16-12-23-20-9-5-3-7-18(16)20)22(28)24-13-17-10-15-6-2-4-8-19(15)26-17/h2-10,12,21,23,26H,11,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide is sourced from PubChem (CID 47086404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).