2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide

C13H24N2O3 — CID 114952822

IUPAC2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N2O3/c1-4-7-14-12(16)11(2)15(3)10-13(17)5-8-18-9-6-13/h4,11,17H,1,5-10H2,2-3H3,(H,14,16)
InChIKeyAPIIRIFVBSJVNC-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.15
Rot. Bonds6

About 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide (PubChem CID 114952822) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
PubChem CID114952822
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N2O3/c1-4-7-14-12(16)11(2)15(3)10-13(17)5-8-18-9-6-13/h4,11,17H,1,5-10H2,2-3H3,(H,14,16)
InChIKeyAPIIRIFVBSJVNC-UHFFFAOYSA-N
XLogP0.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide 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-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
CID 106297634
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 115758694
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile
CID 114949348
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 114950946

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide (CID 114952822) is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide?
The InChIKey is APIIRIFVBSJVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-7-14-12(16)11(2)15(3)10-13(17)5-8-18-9-6-13/h4,11,17H,1,5-10H2,2-3H3,(H,14,16).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide?
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 114952822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).