1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea

C16H20N2O3 — CID 111422873

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C16H20N2O3/c1-12-4-6-13(7-5-12)8-9-17-16(20)18-11-14(19)15-3-2-10-21-15/h2-7,10,14,19H,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyZZVQUMCNAJJBQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 111422873) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID111422873
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C16H20N2O3/c1-12-4-6-13(7-5-12)8-9-17-16(20)18-11-14(19)15-3-2-10-21-15/h2-7,10,14,19H,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyZZVQUMCNAJJBQI-UHFFFAOYSA-N
XLogP2.16
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507783
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
CID 111619159
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111455573
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110896232
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 111422873) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is ZZVQUMCNAJJBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-4-6-13(7-5-12)8-9-17-16(20)18-11-14(19)15-3-2-10-21-15/h2-7,10,14,19H,8-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 288.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111422873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).