4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide

C23H25N5O4 — CID 55815927

IUPAC4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C23H25N5O4/c1-14(29)28-20(10-17-12-25-19-5-3-2-4-18(17)19)23(32)26-11-15-6-8-16(9-7-15)22(31)27-13-21(24)30/h2-9,12,20,25H,10-11,13H2,1H3,(H2,24,30)(H,26,32)(H,27,31)(H,28,29)
InChIKeyBIJOZVPWAILXKN-UHFFFAOYSA-N
MW435.48 g/mol
LogP0.75
Rot. Bonds9

About 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide

4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide (PubChem CID 55815927) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
PubChem CID55815927
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C23H25N5O4/c1-14(29)28-20(10-17-12-25-19-5-3-2-4-18(17)19)23(32)26-11-15-6-8-16(9-7-15)22(31)27-13-21(24)30/h2-9,12,20,25H,10-11,13H2,1H3,(H2,24,30)(H,26,32)(H,27,31)(H,28,29)
InChIKeyBIJOZVPWAILXKN-UHFFFAOYSA-N
XLogP0.75
TPSA146.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide 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

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
(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
4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 25352827
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
N-(2-aminophenyl)-4-[[[2-[[2-(dimethylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzamide
CID 54761314
N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55652089
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35352621

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide (CID 55815927) is 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1.
What is the InChIKey of 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide?
The InChIKey is BIJOZVPWAILXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(29)28-20(10-17-12-25-19-5-3-2-4-18(17)19)23(32)26-11-15-6-8-16(9-7-15)22(31)27-13-21(24)30/h2-9,12,20,25H,10-11,13H2,1H3,(H2,24,30)(H,26,32)(H,27,31)(H,28,29).
What are the key properties of 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide?
4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide has a molecular weight of 435.48 g/mol, XLogP of 0.75, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 55815927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).