N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C26H26FN3O5 — CID 646861

IUPACN-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1
InChIInChI=1S/C26H26FN3O5/c27-20-11-4-5-12-21(20)30(23(31)17-29-25(32)22-13-7-15-35-22)24(18-8-2-1-3-9-18)26(33)28-16-19-10-6-14-34-19/h1-5,7-9,11-13,15,19,24H,6,10,14,16-17H2,(H,28,33)(H,29,32)
InChIKeyCKKUQIQQSPNVQF-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 646861) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID646861
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1
InChIInChI=1S/C26H26FN3O5/c27-20-11-4-5-12-21(20)30(23(31)17-29-25(32)22-13-7-15-35-22)24(18-8-2-1-3-9-18)26(33)28-16-19-10-6-14-34-19/h1-5,7-9,11-13,15,19,24H,6,10,14,16-17H2,(H,28,33)(H,29,32)
InChIKeyCKKUQIQQSPNVQF-UHFFFAOYSA-N
XLogP3.22
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25316011
N-[2-(4-acetyl-N-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25315906
N-[2-(3-acetyl-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25315890
N-[2-(3,5-dimethoxy-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25316105
N-[2-[4-[(2S)-butan-2-yl]-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino]-2-oxoethyl]furan-2-carboxamide
CID 25315982
N-[2-(3,5-dimethoxy-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25316108
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215455
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315590
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315585
N-[2-(N-[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-3-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 98108558
N-[2-[benzyl-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3215450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 646861) is N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is CKKUQIQQSPNVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c27-20-11-4-5-12-21(20)30(23(31)17-29-25(32)22-13-7-15-35-22)24(18-8-2-1-3-9-18)26(33)28-16-19-10-6-14-34-19/h1-5,7-9,11-13,15,19,24H,6,10,14,16-17H2,(H,28,33)(H,29,32).
What are the key properties of N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 646861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).