N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide

C12H24N2O — CID 102991803

IUPACN-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)14(8-4)11-9-10-13(6-2)7-3/h5H,1,6-11H2,2-4H3
InChIKeyWHPOIQIPEBISBK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.75
Rot. Bonds8

About N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide

N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide (PubChem CID 102991803) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
PubChem CID102991803
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)14(8-4)11-9-10-13(6-2)7-3/h5H,1,6-11H2,2-4H3
InChIKeyWHPOIQIPEBISBK-UHFFFAOYSA-N
XLogP1.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.75
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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Related Compounds

N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
CID 135296269
6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
CID 102525241
N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 101483878
(2S)-2-[3-[ethyl(prop-2-enoyl)amino]propyl-methylamino]-3-methylbutanamide
CID 170208483
9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
CID 142375192
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
2-[11-[ethyl(prop-2-enoyl)amino]undecyl-dimethylazaniumyl]acetate
CID 126688640
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide (CID 102991803) is N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide?
The InChIKey is WHPOIQIPEBISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(15)14(8-4)11-9-10-13(6-2)7-3/h5H,1,6-11H2,2-4H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide?
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 102991803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).