N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide

C30H34FN3O5 — CID 3174552

IUPACN-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(N(C(=O)c2ccc(CN3CCOCC3)o2)C(C(=O)NCC2CCCO2)c2ccc(F)cc2)c1
InChIInChI=1S/C30H34FN3O5/c1-21-4-2-5-24(18-21)34(30(36)27-12-11-26(39-27)20-33-13-16-37-17-14-33)28(22-7-9-23(31)10-8-22)29(35)32-19-25-6-3-15-38-25/h2,4-5,7-12,18,25,28H,3,6,13-17,19-20H2,1H3,(H,32,35)
InChIKeyIXYHOKBYFYYKAU-UHFFFAOYSA-N
MW535.62 g/mol
LogP4.24
Rot. Bonds9

About N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide

N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 3174552) has the molecular formula C30H34FN3O5 and a molecular weight of 535.62 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide
PubChem CID3174552
Molecular FormulaC30H34FN3O5
Molecular Weight535.62 g/mol
Exact Mass535.25
IUPAC NameN-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(N(C(=O)c2ccc(CN3CCOCC3)o2)C(C(=O)NCC2CCCO2)c2ccc(F)cc2)c1
InChIInChI=1S/C30H34FN3O5/c1-21-4-2-5-24(18-21)34(30(36)27-12-11-26(39-27)20-33-13-16-37-17-14-33)28(22-7-9-23(31)10-8-22)29(35)32-19-25-6-3-15-38-25/h2,4-5,7-12,18,25,28H,3,6,13-17,19-20H2,1H3,(H,32,35)
InChIKeyIXYHOKBYFYYKAU-UHFFFAOYSA-N
XLogP4.24
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142427
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142451
2,4-dimethyl-N-(3-methylphenyl)-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315140
2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide
CID 25318494
2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 86343345
N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-(3-morpholin-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 92534133
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312827
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3666354
N-(1-benzylpiperidin-4-yl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-4-ylethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 3867005
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142293
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215354
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 3174552) is N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide is Cc1cccc(N(C(=O)c2ccc(CN3CCOCC3)o2)C(C(=O)NCC2CCCO2)c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is IXYHOKBYFYYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O5/c1-21-4-2-5-24(18-21)34(30(36)27-12-11-26(39-27)20-33-13-16-37-17-14-33)28(22-7-9-23(31)10-8-22)29(35)32-19-25-6-3-15-38-25/h2,4-5,7-12,18,25,28H,3,6,13-17,19-20H2,1H3,(H,32,35).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3174552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).