3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea

C20H20N2O3 — CID 134040575

IUPAC3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
SMILESCC(=O)c1ccc(NC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(19-12-16-6-4-5-7-18(16)25-19)22(3)20(24)21-17-10-8-15(9-11-17)14(2)23/h4-13H,1-3H3,(H,21,24)
InChIKeyRKVDMESDEXIYPZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.86
Rot. Bonds4

About 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea

3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea (PubChem CID 134040575) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
PubChem CID134040575
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
SMILESCC(=O)c1ccc(NC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(19-12-16-6-4-5-7-18(16)25-19)22(3)20(24)21-17-10-8-15(9-11-17)14(2)23/h4-13H,1-3H3,(H,21,24)
InChIKeyRKVDMESDEXIYPZ-UHFFFAOYSA-N
XLogP4.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)urea
CID 134040562
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934942
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193579
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
CID 42951446

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea (CID 134040575) is 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea is CC(=O)c1ccc(NC(=O)N(C)C(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea?
The InChIKey is RKVDMESDEXIYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(19-12-16-6-4-5-7-18(16)25-19)22(3)20(24)21-17-10-8-15(9-11-17)14(2)23/h4-13H,1-3H3,(H,21,24).
What are the key properties of 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea?
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea has a molecular weight of 336.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 134040575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).