N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide

C9H16N2O2 — CID 21268970

IUPACN-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CCN(C)C
InChIInChI=1S/C9H16N2O2/c1-7(2)9(13)10-8(12)5-6-11(3)4/h1,5-6H2,2-4H3,(H,10,12,13)
InChIKeyXTRQFKCCMOEFPV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds4

About N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide (PubChem CID 21268970) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide
PubChem CID21268970
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CCN(C)C
InChIInChI=1S/C9H16N2O2/c1-7(2)9(13)10-8(12)5-6-11(3)4/h1,5-6H2,2-4H3,(H,10,12,13)
InChIKeyXTRQFKCCMOEFPV-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide (CID 21268970) is N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(=O)CCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide?
The InChIKey is XTRQFKCCMOEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)9(13)10-8(12)5-6-11(3)4/h1,5-6H2,2-4H3,(H,10,12,13).
What are the key properties of N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propanoyl]-2-methylprop-2-enamide is sourced from PubChem (CID 21268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).