2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide

C12H22N2O3 — CID 106101055

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1(O)CCOC1C
InChIInChI=1S/C12H22N2O3/c1-4-6-13-11(15)9(2)14-8-12(16)5-7-17-10(12)3/h4,9-10,14,16H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyOFWWOPXTPIPUKF-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.19
Rot. Bonds6

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide (PubChem CID 106101055) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide
PubChem CID106101055
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1(O)CCOC1C
InChIInChI=1S/C12H22N2O3/c1-4-6-13-11(15)9(2)14-8-12(16)5-7-17-10(12)3/h4,9-10,14,16H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyOFWWOPXTPIPUKF-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'}

Analyze 2-[(3-hydroxy-2-methyloxolan-3-yl)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-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-prop-2-enylpropanamide
CID 106297634
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 107270775
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide (CID 106101055) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1(O)CCOC1C.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide?
The InChIKey is OFWWOPXTPIPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-13-11(15)9(2)14-8-12(16)5-7-17-10(12)3/h4,9-10,14,16H,1,5-8H2,2-3H3,(H,13,15).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide?
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-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-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 106101055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).