N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H24N2O5 — CID 46542128

IUPACN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O5/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOZOCHNPEBIDYCZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.95
Rot. Bonds9

About N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46542128) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID46542128
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O5/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOZOCHNPEBIDYCZ-UHFFFAOYSA-N
XLogP2.95
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34553727
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612597
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
CID 46520850
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46542128) is N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is COc1ccc(OC)c(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is OZOCHNPEBIDYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-28-18-10-11-20(29-2)17(14-18)15-24-22(26)19(13-16-7-4-3-5-8-16)25-23(27)21-9-6-12-30-21/h3-12,14,19H,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46542128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).