1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C15H22N2O4 — CID 108874595

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCCOCCO)cc1
InChIInChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(19)6-7-16-15(20)17-8-10-21-11-9-18/h2-5,18H,6-11H2,1H3,(H2,16,17,20)
InChIKeyRHVMBYQFJOVFQY-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.88
Rot. Bonds9

About 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874595) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874595
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCCOCCO)cc1
InChIInChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(19)6-7-16-15(20)17-8-10-21-11-9-18/h2-5,18H,6-11H2,1H3,(H2,16,17,20)
InChIKeyRHVMBYQFJOVFQY-UHFFFAOYSA-N
XLogP0.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874734
1-(2,2-diethoxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874774
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(pyridin-4-ylmethyl)urea
CID 108874547
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874750
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
CID 108874660
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874595) is 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)NCCOCCO)cc1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is RHVMBYQFJOVFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(19)6-7-16-15(20)17-8-10-21-11-9-18/h2-5,18H,6-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 294.35 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).