(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide

C17H25FN2O — CID 146101000

IUPAC(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H25FN2O/c1-4-11-20(17(21)9-6-12-19(2)3)13-10-15-7-5-8-16(18)14-15/h5-9,14H,4,10-13H2,1-3H3/b9-6+
InChIKeySIKUCLNFXYBZJL-RMKNXTFCSA-N
MW292.40 g/mol
LogP2.72
Rot. Bonds8

About (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide

(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide (PubChem CID 146101000) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
PubChem CID146101000
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H25FN2O/c1-4-11-20(17(21)9-6-12-19(2)3)13-10-15-7-5-8-16(18)14-15/h5-9,14H,4,10-13H2,1-3H3/b9-6+
InChIKeySIKUCLNFXYBZJL-RMKNXTFCSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.72
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

3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
CID 86967829
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide (CID 146101000) is (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide is CCCN(CCc1cccc(F)c1)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide?
The InChIKey is SIKUCLNFXYBZJL-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-11-20(17(21)9-6-12-19(2)3)13-10-15-7-5-8-16(18)14-15/h5-9,14H,4,10-13H2,1-3H3/b9-6+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide?
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide has a molecular weight of 292.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide is sourced from PubChem (CID 146101000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).