N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide

C18H23FN2O2 — CID 665239

IUPACN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCN(C)CCCNC(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H23FN2O2/c1-21(2)11-4-10-20-18(22)13-16(17-5-3-12-23-17)14-6-8-15(19)9-7-14/h3,5-9,12,16H,4,10-11,13H2,1-2H3,(H,20,22)
InChIKeyHNGJMMBFDRTFFP-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.01
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide

N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 665239) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID665239
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCN(C)CCCNC(=O)CC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H23FN2O2/c1-21(2)11-4-10-20-18(22)13-16(17-5-3-12-23-17)14-6-8-15(19)9-7-14/h3,5-9,12,16H,4,10-11,13H2,1-2H3,(H,20,22)
InChIKeyHNGJMMBFDRTFFP-UHFFFAOYSA-N
XLogP3.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 2579466
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
(E)-N-(4-fluorophenethyl)-3-(furan-2-yl)acrylamide
CID 7700192
3-(Furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2771861
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 665041
3-Furan-2-yl-3-p-tolyl-propionimidic acid
CID 2928875
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 665239) is N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide is CN(C)CCCNC(=O)CC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is HNGJMMBFDRTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-21(2)11-4-10-20-18(22)13-16(17-5-3-12-23-17)14-6-8-15(19)9-7-14/h3,5-9,12,16H,4,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 318.39 g/mol, XLogP of 3.01, 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-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 665239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).