3-(diethylamino)-N-ethyl-N-methylprop-2-enamide

C10H20N2O — CID 174919518

IUPAC3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
SMILESCCN(C=CC(=O)N(C)CC)CC
InChIInChI=1S/C10H20N2O/c1-5-11(4)10(13)8-9-12(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyVVBDCTVRWQYGKF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds5

About 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide

3-(diethylamino)-N-ethyl-N-methylprop-2-enamide (PubChem CID 174919518) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
PubChem CID174919518
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
SMILESCCN(C=CC(=O)N(C)CC)CC
InChIInChI=1S/C10H20N2O/c1-5-11(4)10(13)8-9-12(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyVVBDCTVRWQYGKF-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide?
The IUPAC name of 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide (CID 174919518) is 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide.
What is the SMILES notation for 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide?
The canonical SMILES for 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide is CCN(C=CC(=O)N(C)CC)CC.
What is the InChIKey of 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide?
The InChIKey is VVBDCTVRWQYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-11(4)10(13)8-9-12(6-2)7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide?
3-(diethylamino)-N-ethyl-N-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-ethyl-N-methylprop-2-enamide is sourced from PubChem (CID 174919518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).