2-[N-butyl-2-(hydroxymethyl)anilino]acetamide

C13H20N2O2 — CID 55003388

IUPAC2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccccc1CO
InChIInChI=1S/C13H20N2O2/c1-2-3-8-15(9-13(14)17)12-7-5-4-6-11(12)10-16/h4-7,16H,2-3,8-10H2,1H3,(H2,14,17)
InChIKeyLVLJKPGMYBQPGX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.27
Rot. Bonds7

About 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide

2-[N-butyl-2-(hydroxymethyl)anilino]acetamide (PubChem CID 55003388) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
PubChem CID55003388
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccccc1CO
InChIInChI=1S/C13H20N2O2/c1-2-3-8-15(9-13(14)17)12-7-5-4-6-11(12)10-16/h4-7,16H,2-3,8-10H2,1H3,(H2,14,17)
InChIKeyLVLJKPGMYBQPGX-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[N-butyl-2-(hydroxymethyl)anilino]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

2-[N-(2-amino-2-oxoethyl)-2-(hydroxymethyl)anilino]acetamide
CID 62923312
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
ethyl 2-amino-3-[(2-amino-2-oxoethyl)-butylamino]benzoate
CID 115545550
2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
CID 113269629

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide?
The IUPAC name of 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide (CID 55003388) is 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide?
The canonical SMILES for 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide is CCCCN(CC(N)=O)c1ccccc1CO.
What is the InChIKey of 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide?
The InChIKey is LVLJKPGMYBQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-8-15(9-13(14)17)12-7-5-4-6-11(12)10-16/h4-7,16H,2-3,8-10H2,1H3,(H2,14,17).
What are the key properties of 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide?
2-[N-butyl-2-(hydroxymethyl)anilino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-2-(hydroxymethyl)anilino]acetamide is sourced from PubChem (CID 55003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).