N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate

C15H28N2O4 — CID 87665647

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)OCCO
InChIInChI=1S/C9H18N2O.C6H10O3/c1-8(2)9(12)10-6-5-7-11(3)4;1-5(2)6(8)9-4-3-7/h1,5-7H2,2-4H3,(H,10,12);7H,1,3-4H2,2H3
InChIKeyUMFUZKQKAJYBPP-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.73
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 87665647) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID87665647
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)OCCO
InChIInChI=1S/C9H18N2O.C6H10O3/c1-8(2)9(12)10-6-5-7-11(3)4;1-5(2)6(8)9-4-3-7/h1,5-7H2,2-4H3,(H,10,12);7H,1,3-4H2,2H3
InChIKeyUMFUZKQKAJYBPP-UHFFFAOYSA-N
XLogP0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate (CID 87665647) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)NCCCN(C)C.C=C(C)C(=O)OCCO.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is UMFUZKQKAJYBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C6H10O3/c1-8(2)9(12)10-6-5-7-11(3)4;1-5(2)6(8)9-4-3-7/h1,5-7H2,2-4H3,(H,10,12);7H,1,3-4H2,2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87665647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).