N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

C25H26N2O4 — CID 3221190

IUPACN-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-17(28)19-12-8-13-20(16-19)27(24(30)21-14-9-15-31-21)22(18-10-6-5-7-11-18)23(29)26-25(2,3)4/h5-16,22H,1-4H3,(H,26,29)
InChIKeyKHEHUWLZRDATNQ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.78
Rot. Bonds6

About N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (PubChem CID 3221190) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
PubChem CID3221190
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-17(28)19-12-8-13-20(16-19)27(24(30)21-14-9-15-31-21)22(18-10-6-5-7-11-18)23(29)26-25(2,3)4/h5-16,22H,1-4H3,(H,26,29)
InChIKeyKHEHUWLZRDATNQ-UHFFFAOYSA-N
XLogP4.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
CID 7224488
N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
CID 3432317
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
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-(tert-butylamino)-2-oxo-1-(1H-pyrazol-4-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003637
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyridin-3-ylphenyl)furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53308715
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methoxyphenoxy)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53308727
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-cyanophenyl)phenyl]furan-2-carboxamide
CID 53488290
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53308719
N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-4-ethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 25317846

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (CID 3221190) is N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is CC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC(C)(C)C)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The InChIKey is KHEHUWLZRDATNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17(28)19-12-8-13-20(16-19)27(24(30)21-14-9-15-31-21)22(18-10-6-5-7-11-18)23(29)26-25(2,3)4/h5-16,22H,1-4H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 3221190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).