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

C15H20N2O2 — CID 115186562

IUPAC2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
SMILESCCC(CO)C(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-11(9-18)15(19)16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-7,11,17-18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyHQJFQXSTHALBEP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds5

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

2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide (PubChem CID 115186562) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
PubChem CID115186562
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
SMILESCCC(CO)C(=O)NCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-11(9-18)15(19)16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-7,11,17-18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyHQJFQXSTHALBEP-UHFFFAOYSA-N
XLogP2.11
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-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

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
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide (CID 115186562) is 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide is CCC(CO)C(=O)NCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
The InChIKey is HQJFQXSTHALBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-11(9-18)15(19)16-8-13-10(2)17-14-7-5-4-6-12(13)14/h4-7,11,17-18H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide?
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide is sourced from PubChem (CID 115186562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).