(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C19H23FN2O2 — CID 110281790

IUPAC(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(F)cc2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-4-9-17(24-14)10-11-19(23)21-18(12-13-22(2)3)15-5-7-16(20)8-6-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)/b11-10+
InChIKeyBIRUZMQAGRKFSR-ZHACJKMWSA-N
MW330.40 g/mol
LogP3.55
Rot. Bonds7

About (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 110281790) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID110281790
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(F)cc2)o1
InChIInChI=1S/C19H23FN2O2/c1-14-4-9-17(24-14)10-11-19(23)21-18(12-13-22(2)3)15-5-7-16(20)8-6-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)/b11-10+
InChIKeyBIRUZMQAGRKFSR-ZHACJKMWSA-N
XLogP3.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.55
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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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
CID 110281888
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
propan-2-yl 3-(4-methoxyphenyl)-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propanoate
CID 24516727
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 103940956
(E)-N-[(4-fluorophenyl)carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 922712
2-(3,4-difluorophenyl)-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]acetic acid
CID 127264815
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
CID 110281761
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 110281790) is (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(F)cc2)o1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is BIRUZMQAGRKFSR-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-4-9-17(24-14)10-11-19(23)21-18(12-13-22(2)3)15-5-7-16(20)8-6-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)/b11-10+.
What are the key properties of (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 330.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 110281790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).