N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide

C11H18N2O2 — CID 57165085

IUPACN-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCN(C)C)C(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-5-10(14)13(11(15)6-2)9-7-8-12(3)4/h5-6H,1-2,7-9H2,3-4H3
InChIKeyGOGDHCKIMOFAQL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide

N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide (PubChem CID 57165085) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide
PubChem CID57165085
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCN(C)C)C(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-5-10(14)13(11(15)6-2)9-7-8-12(3)4/h5-6H,1-2,7-9H2,3-4H3
InChIKeyGOGDHCKIMOFAQL-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide (CID 57165085) is N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCCN(C)C)C(=O)C=C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide?
The InChIKey is GOGDHCKIMOFAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10(14)13(11(15)6-2)9-7-8-12(3)4/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide?
N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 57165085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).