1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea

C16H18N2O3 — CID 60724113

IUPAC1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11H,1-3H3,(H2,17,18,20)
InChIKeyLBADFSFRBPWYJL-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 60724113) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID60724113
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11H,1-3H3,(H2,17,18,20)
InChIKeyLBADFSFRBPWYJL-UHFFFAOYSA-N
XLogP3.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 61478923
ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
CID 70396945
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
CID 61466395
N-[1-(5-methylfuran-2-yl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 47121321
2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
CID 103951096
1-(3-acetylphenyl)-3-[(1S)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]urea
CID 95769477
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
CID 47043505
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 60724113) is 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea is CC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is LBADFSFRBPWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 286.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 60724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).