1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea

C15H24N2O4 — CID 108883758

IUPAC1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C15H24N2O4/c1-13-5-2-3-6-14(13)21-12-4-7-16-15(20)17(8-10-18)9-11-19/h2-3,5-6,18-19H,4,7-12H2,1H3,(H,16,20)
InChIKeyBYCZWOKNCNTAPH-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.76
Rot. Bonds9

About 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea

1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883758) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883758
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C15H24N2O4/c1-13-5-2-3-6-14(13)21-12-4-7-16-15(20)17(8-10-18)9-11-19/h2-3,5-6,18-19H,4,7-12H2,1H3,(H,16,20)
InChIKeyBYCZWOKNCNTAPH-UHFFFAOYSA-N
XLogP0.76
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.76
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

3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
CID 112969805
1-methyl-3-[3-(2-methylphenoxy)propyl]-1-phenylurea
CID 108883830
1-tert-butyl-1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883940
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
3-[3-(2,3-dimethylphenoxy)propylcarbamoyl-methylamino]propanoic acid
CID 122012189

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883758) is 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is BYCZWOKNCNTAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-13-5-2-3-6-14(13)21-12-4-7-16-15(20)17(8-10-18)9-11-19/h2-3,5-6,18-19H,4,7-12H2,1H3,(H,16,20).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea?
1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 296.37 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).