N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide

C22H29FN2O3 — CID 4148902

IUPACN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H29FN2O3/c1-4-5-6-12-25(22(27)20-14-16(2)28-17(20)3)13-11-21(26)24-15-18-7-9-19(23)10-8-18/h7-10,14H,4-6,11-13,15H2,1-3H3,(H,24,26)
InChIKeyZZHGWTJIZMEYOB-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.37
Rot. Bonds10

About N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide (PubChem CID 4148902) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
PubChem CID4148902
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H29FN2O3/c1-4-5-6-12-25(22(27)20-14-16(2)28-17(20)3)13-11-21(26)24-15-18-7-9-19(23)10-8-18/h7-10,14H,4-6,11-13,15H2,1-3H3,(H,24,26)
InChIKeyZZHGWTJIZMEYOB-UHFFFAOYSA-N
XLogP4.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.37
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-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 3488560
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584278
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4197500
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide (CID 4148902) is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide is CCCCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The InChIKey is ZZHGWTJIZMEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-4-5-6-12-25(22(27)20-14-16(2)28-17(20)3)13-11-21(26)24-15-18-7-9-19(23)10-8-18/h7-10,14H,4-6,11-13,15H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide is sourced from PubChem (CID 4148902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).