4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide

C14H19N3O — CID 115155288

IUPAC4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)CCCN
InChIInChI=1S/C14H19N3O/c1-10-12(9-16-14(18)7-4-8-15)11-5-2-3-6-13(11)17-10/h2-3,5-6,17H,4,7-9,15H2,1H3,(H,16,18)
InChIKeyLLVPXFAFUUHNQB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide

4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide (PubChem CID 115155288) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
PubChem CID115155288
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)CCCN
InChIInChI=1S/C14H19N3O/c1-10-12(9-16-14(18)7-4-8-15)11-5-2-3-6-13(11)17-10/h2-3,5-6,17H,4,7-9,15H2,1H3,(H,16,18)
InChIKeyLLVPXFAFUUHNQB-UHFFFAOYSA-N
XLogP1.83
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide 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'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide (CID 115155288) is 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide is Cc1[nH]c2ccccc2c1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The InChIKey is LLVPXFAFUUHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-12(9-16-14(18)7-4-8-15)11-5-2-3-6-13(11)17-10/h2-3,5-6,17H,4,7-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide has a molecular weight of 245.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide is sourced from PubChem (CID 115155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).