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

C12H23N3O2 — CID 159721978

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.C=CC(N)=O
InChIInChI=1S/C9H18N2O.C3H5NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-3(4)5/h1,5-7H2,2-4H3,(H,10,12);2H,1H2,(H2,4,5)
InChIKeyNADPRMWVOOYJEX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.29
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide (PubChem CID 159721978) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
PubChem CID159721978
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.C=CC(N)=O
InChIInChI=1S/C9H18N2O.C3H5NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-3(4)5/h1,5-7H2,2-4H3,(H,10,12);2H,1H2,(H2,4,5)
InChIKeyNADPRMWVOOYJEX-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;prop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide (CID 159721978) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide is C=C(C)C(=O)NCCCN(C)C.C=CC(N)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide?
The InChIKey is NADPRMWVOOYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H5NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-2-3(4)5/h1,5-7H2,2-4H3,(H,10,12);2H,1H2,(H2,4,5).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 159721978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).