2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide

C12H22N2O3 — CID 106297634

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-3-6-13-11(16)10(2)14-12(9-15)4-7-17-8-5-12/h3,10,14-15H,1,4-9H2,2H3,(H,13,16)
InChIKeyBZRWOYKFWJYMDZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.19
Rot. Bonds6

About 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide (PubChem CID 106297634) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
PubChem CID106297634
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1(CO)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-3-6-13-11(16)10(2)14-12(9-15)4-7-17-8-5-12/h3,10,14-15H,1,4-9H2,2H3,(H,13,16)
InChIKeyBZRWOYKFWJYMDZ-UHFFFAOYSA-N
XLogP-0.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
CID 55082317
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297661
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 114952822
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 106101055
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
methyl 3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 103952283
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide (CID 106297634) is 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide?
The InChIKey is BZRWOYKFWJYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-6-13-11(16)10(2)14-12(9-15)4-7-17-8-5-12/h3,10,14-15H,1,4-9H2,2H3,(H,13,16).
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide?
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide has a molecular weight of 242.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 106297634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).