2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide

C17H23N3O — CID 102916244

IUPAC2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cc(CNC3CC3)ccc21
InChIInChI=1S/C17H23N3O/c1-12(2)19-17(21)11-20-8-7-14-9-13(3-6-16(14)20)10-18-15-4-5-15/h3,6-9,12,15,18H,4-5,10-11H2,1-2H3,(H,19,21)
InChIKeyPGIMMIZCYQCSLF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.42
Rot. Bonds6

About 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide

2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide (PubChem CID 102916244) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
PubChem CID102916244
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cc(CNC3CC3)ccc21
InChIInChI=1S/C17H23N3O/c1-12(2)19-17(21)11-20-8-7-14-9-13(3-6-16(14)20)10-18-15-4-5-15/h3,6-9,12,15,18H,4-5,10-11H2,1-2H3,(H,19,21)
InChIKeyPGIMMIZCYQCSLF-UHFFFAOYSA-N
XLogP2.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide 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-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
CID 102916232
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
CID 175826876
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide (CID 102916244) is 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc2cc(CNC3CC3)ccc21.
What is the InChIKey of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PGIMMIZCYQCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)19-17(21)11-20-8-7-14-9-13(3-6-16(14)20)10-18-15-4-5-15/h3,6-9,12,15,18H,4-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide?
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 285.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 102916244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).