2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

C13H24N4O3 — CID 106618204

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C13H24N4O3/c1-2-5-15-13(20)16-12(19)10-17(7-8-18)9-11-4-3-6-14-11/h2,11,14,18H,1,3-10H2,(H2,15,16,19,20)
InChIKeyXSHXWVSZYOTKIB-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.96
Rot. Bonds8

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 106618204) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID106618204
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C13H24N4O3/c1-2-5-15-13(20)16-12(19)10-17(7-8-18)9-11-4-3-6-14-11/h2,11,14,18H,1,3-10H2,(H2,15,16,19,20)
InChIKeyXSHXWVSZYOTKIB-UHFFFAOYSA-N
XLogP-0.96
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)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

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60912300
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106617890
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (CID 106618204) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is XSHXWVSZYOTKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-2-5-15-13(20)16-12(19)10-17(7-8-18)9-11-4-3-6-14-11/h2,11,14,18H,1,3-10H2,(H2,15,16,19,20).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.96, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 106618204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).