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

C16H20N2O — CID 113084659

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-2-5-15(19)18-11-16(8-9-16)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyFZMIMCLKAZIJOS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.12
Rot. Bonds5

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

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide (PubChem CID 113084659) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
PubChem CID113084659
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NCC1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-2-5-15(19)18-11-16(8-9-16)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyFZMIMCLKAZIJOS-UHFFFAOYSA-N
XLogP3.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
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-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085158
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide (CID 113084659) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide is CCCC(=O)NCC1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide?
The InChIKey is FZMIMCLKAZIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-15(19)18-11-16(8-9-16)13-10-17-14-7-4-3-6-12(13)14/h3-4,6-7,10,17H,2,5,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide has a molecular weight of 256.35 g/mol, XLogP of 3.12, 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]butanamide is sourced from PubChem (CID 113084659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).