2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide

C20H25N5O2 — CID 71847306

IUPAC2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C20H25N5O2/c1-15(26)23-19(12-16-13-22-18-7-4-3-6-17(16)18)20(27)24(2)9-5-10-25-11-8-21-14-25/h3-4,6-8,11,13-14,19,22H,5,9-10,12H2,1-2H3,(H,23,26)
InChIKeyDKGCIZSOKCWSHS-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.96
Rot. Bonds8

About 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide

2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 71847306) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID71847306
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C20H25N5O2/c1-15(26)23-19(12-16-13-22-18-7-4-3-6-17(16)18)20(27)24(2)9-5-10-25-11-8-21-14-25/h3-4,6-8,11,13-14,19,22H,5,9-10,12H2,1-2H3,(H,23,26)
InChIKeyDKGCIZSOKCWSHS-UHFFFAOYSA-N
XLogP1.96
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-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

2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
CID 164972019
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
4-[[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]methyl]-N-methylbenzamide
CID 8965686
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119958004
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
(2S)-2-acetamido-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 31239015
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl isocyanide
CID 101405165

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 71847306) is 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CCCn1ccnc1.
What is the InChIKey of 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is DKGCIZSOKCWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15(26)23-19(12-16-13-22-18-7-4-3-6-17(16)18)20(27)24(2)9-5-10-25-11-8-21-14-25/h3-4,6-8,11,13-14,19,22H,5,9-10,12H2,1-2H3,(H,23,26).
What are the key properties of 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 71847306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).