N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide

C17H25N3O3 — CID 102597293

IUPACN-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
SMILESCNC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C17H25N3O3/c1-18-15(17(21)20(2)11-16(22-3)23-4)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10,15-16,18-19H,9,11H2,1-4H3
InChIKeyJENJQVZPSDDBCV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.38
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide

N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide (PubChem CID 102597293) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
PubChem CID102597293
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
SMILESCNC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C17H25N3O3/c1-18-15(17(21)20(2)11-16(22-3)23-4)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10,15-16,18-19H,9,11H2,1-4H3
InChIKeyJENJQVZPSDDBCV-UHFFFAOYSA-N
XLogP1.38
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040
methyl N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]carbamate
CID 76748095
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
CID 16719604
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-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
CID 88542339

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide (CID 102597293) is N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide is CNC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The InChIKey is JENJQVZPSDDBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-18-15(17(21)20(2)11-16(22-3)23-4)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10,15-16,18-19H,9,11H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 102597293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).