2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide

C12H24N2O3 — CID 114164663

IUPAC2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(C)(O)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-7-13-11(15)10(2)14-9-12(3,16)6-8-17-4/h5,10,14,16H,1,6-9H2,2-4H3,(H,13,15)
InChIKeySZFAVJZGVQFNPQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.05
Rot. Bonds9

About 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide (PubChem CID 114164663) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
PubChem CID114164663
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(C)(O)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-7-13-11(15)10(2)14-9-12(3,16)6-8-17-4/h5,10,14,16H,1,6-9H2,2-4H3,(H,13,15)
InChIKeySZFAVJZGVQFNPQ-UHFFFAOYSA-N
XLogP0.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.05
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-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide (CID 114164663) is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC(C)(O)CCOC.
What is the InChIKey of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is SZFAVJZGVQFNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-13-11(15)10(2)14-9-12(3,16)6-8-17-4/h5,10,14,16H,1,6-9H2,2-4H3,(H,13,15).
What are the key properties of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide?
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 114164663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).