N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide

C26H32N4O3 — CID 55652089

IUPACN-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1
InChIInChI=1S/C26H32N4O3/c1-16(2)24(31)29-20-11-9-18(10-12-20)14-28-26(33)23(30-25(32)17(3)4)13-19-15-27-22-8-6-5-7-21(19)22/h5-12,15-17,23,27H,13-14H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyXWZFXHHNKDDXSG-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.76
Rot. Bonds9

About N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide

N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 55652089) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
PubChem CID55652089
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1
InChIInChI=1S/C26H32N4O3/c1-16(2)24(31)29-20-11-9-18(10-12-20)14-28-26(33)23(30-25(32)17(3)4)13-19-15-27-22-8-6-5-7-21(19)22/h5-12,15-17,23,27H,13-14H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyXWZFXHHNKDDXSG-UHFFFAOYSA-N
XLogP3.76
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide 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-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
(2S)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
N-[3-(1H-indol-3-yl)-1-oxo-1-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-2-yl]-2-methylpropanamide
CID 55958924
(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-phenylpropanamide
CID 46449928
N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55651213
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
(2R)-N-[(2S)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10624005
N-[1-[2-(4-ethylbenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650702

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide (CID 55652089) is N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is XWZFXHHNKDDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16(2)24(31)29-20-11-9-18(10-12-20)14-28-26(33)23(30-25(32)17(3)4)13-19-15-27-22-8-6-5-7-21(19)22/h5-12,15-17,23,27H,13-14H2,1-4H3,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide?
N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 448.57 g/mol, XLogP of 3.76, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55652089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).