2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide

C12H22N2O3 — CID 113237467

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
SMILESC=CCN(CCO)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-5-14(6-7-15)10-12(16)13-11-3-8-17-9-4-11/h2,11,15H,1,3-10H2,(H,13,16)
InChIKeyYIBNEUGXKRZALU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.24
Rot. Bonds7

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 113237467) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID113237467
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
SMILESC=CCN(CCO)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-5-14(6-7-15)10-12(16)13-11-3-8-17-9-4-11/h2,11,15H,1,3-10H2,(H,13,16)
InChIKeyYIBNEUGXKRZALU-UHFFFAOYSA-N
XLogP-0.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
N-(oxan-4-yl)but-3-enamide
CID 134356735
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
N'-acetyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetohydrazide
CID 115747968
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 113237459
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 107494585
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
CID 63099380
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 115631959

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide (CID 113237467) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide is C=CCN(CCO)CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is YIBNEUGXKRZALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-5-14(6-7-15)10-12(16)13-11-3-8-17-9-4-11/h2,11,15H,1,3-10H2,(H,13,16).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113237467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).