N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide

C17H25N3O — CID 102916880

IUPACN-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
SMILESCC(C)NCc1ccc2ccn(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)18-10-14-5-6-15-7-8-20(16(15)9-14)11-17(21)19-13(3)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,19,21)
InChIKeyYGBQOBORZUNWNN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.66
Rot. Bonds6

About N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide

N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide (PubChem CID 102916880) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
PubChem CID102916880
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
SMILESCC(C)NCc1ccc2ccn(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)18-10-14-5-6-15-7-8-20(16(15)9-14)11-17(21)19-13(3)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,19,21)
InChIKeyYGBQOBORZUNWNN-UHFFFAOYSA-N
XLogP2.66
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide 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-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
CID 102916820
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
CID 106455414
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide (CID 102916880) is N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide is CC(C)NCc1ccc2ccn(CC(=O)NC(C)C)c2c1.
What is the InChIKey of N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The InChIKey is YGBQOBORZUNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)18-10-14-5-6-15-7-8-20(16(15)9-14)11-17(21)19-13(3)4/h5-9,12-13,18H,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 102916880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).