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

C21H27FN2O3 — CID 4181128

IUPACN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2ccc(F)cc2)CC(C)C)c(C)o1
InChIInChI=1S/C21H27FN2O3/c1-14(2)13-24(21(26)19-11-15(3)27-16(19)4)10-9-20(25)23-12-17-5-7-18(22)8-6-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,23,25)
InChIKeyMUUGNMQHUSCVTP-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.84
Rot. Bonds8

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

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 4181128) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID4181128
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCc2ccc(F)cc2)CC(C)C)c(C)o1
InChIInChI=1S/C21H27FN2O3/c1-14(2)13-24(21(26)19-11-15(3)27-16(19)4)10-9-20(25)23-12-17-5-7-18(22)8-6-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,23,25)
InChIKeyMUUGNMQHUSCVTP-UHFFFAOYSA-N
XLogP3.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 3488560
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 3591637
[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
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (CID 4181128) is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCc2ccc(F)cc2)CC(C)C)c(C)o1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is MUUGNMQHUSCVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-14(2)13-24(21(26)19-11-15(3)27-16(19)4)10-9-20(25)23-12-17-5-7-18(22)8-6-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.84, 8 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-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 4181128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).