N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide

C16H24N2O2 — CID 78781263

IUPACN-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-20-15-9-6-14(7-10-15)8-11-16(19)17-12-5-13-18(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,17,19)
InChIKeyBZQKFKDVIXKPNY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide

N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 78781263) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID78781263
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-20-15-9-6-14(7-10-15)8-11-16(19)17-12-5-13-18(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,17,19)
InChIKeyBZQKFKDVIXKPNY-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
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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Related Compounds

(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
4-[3-(4-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 74868297
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
methyl 4-[3-[3-(dimethylamino)propylamino]-3-oxoprop-1-enyl]benzoate
CID 76859713
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
(E)-3-(4-ethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide
CID 17227320
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide (CID 78781263) is N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is BZQKFKDVIXKPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-9-6-14(7-10-15)8-11-16(19)17-12-5-13-18(2)3/h6-11H,4-5,12-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide?
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78781263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).