2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

C11H21N3O3 — CID 113246213

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C11H21N3O3/c1-4-6-12-11(17)13-10(16)8-14(3)7-5-9(2)15/h4,9,15H,1,5-8H2,2-3H3,(H2,12,13,16,17)
InChIKeyITWJSDDNSCCLLW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.30
Rot. Bonds7

About 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 113246213) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID113246213
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)CCC(C)O
InChIInChI=1S/C11H21N3O3/c1-4-6-12-11(17)13-10(16)8-14(3)7-5-9(2)15/h4,9,15H,1,5-8H2,2-3H3,(H2,12,13,16,17)
InChIKeyITWJSDDNSCCLLW-UHFFFAOYSA-N
XLogP-0.30
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)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

N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
CID 62012374
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 26430688
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (CID 113246213) is 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(C)CCC(C)O.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is ITWJSDDNSCCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-6-12-11(17)13-10(16)8-14(3)7-5-9(2)15/h4,9,15H,1,5-8H2,2-3H3,(H2,12,13,16,17).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 113246213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).