N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide

C17H22N2O — CID 113084663

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12(2)9-16(20)19-11-17(7-8-17)14-10-18-15-6-4-3-5-13(14)15/h3-6,10,12,18H,7-9,11H2,1-2H3,(H,19,20)
InChIKeyFYHCQUFKIFJNPM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.36
Rot. Bonds5

About N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide (PubChem CID 113084663) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
PubChem CID113084663
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12(2)9-16(20)19-11-17(7-8-17)14-10-18-15-6-4-3-5-13(14)15/h3-6,10,12,18H,7-9,11H2,1-2H3,(H,19,20)
InChIKeyFYHCQUFKIFJNPM-UHFFFAOYSA-N
XLogP3.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide 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-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084702
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 113085260
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide (CID 113084663) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCC1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide?
The InChIKey is FYHCQUFKIFJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)9-16(20)19-11-17(7-8-17)14-10-18-15-6-4-3-5-13(14)15/h3-6,10,12,18H,7-9,11H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 113084663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).