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

C16H20N2O3 — CID 61478923

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccc(C(C)O)cc2)o1
InChIInChI=1S/C16H20N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11-12,19H,1-3H3,(H2,17,18,20)
InChIKeyHFTOAKZCTIUNEQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.52
Rot. Bonds4

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

1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 61478923) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID61478923
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccc(C(C)O)cc2)o1
InChIInChI=1S/C16H20N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11-12,19H,1-3H3,(H2,17,18,20)
InChIKeyHFTOAKZCTIUNEQ-UHFFFAOYSA-N
XLogP3.52
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60724113
ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
CID 70396945
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
CID 47043505
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86994509
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 61478923) is 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)Nc2ccc(C(C)O)cc2)o1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is HFTOAKZCTIUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-4-9-15(21-10)11(2)17-16(20)18-14-7-5-13(6-8-14)12(3)19/h4-9,11-12,19H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 288.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 61478923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).