1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea

C14H22N2O3 — CID 110904066

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCCO)c1
InChIInChI=1S/C14H22N2O3/c1-11-8-12(2)10-13(9-11)19-7-5-16-14(18)15-4-3-6-17/h8-10,17H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyVQDWBYSTHSWJQT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds7

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea (PubChem CID 110904066) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
PubChem CID110904066
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCCO)c1
InChIInChI=1S/C14H22N2O3/c1-11-8-12(2)10-13(9-11)19-7-5-16-14(18)15-4-3-6-17/h8-10,17H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyVQDWBYSTHSWJQT-UHFFFAOYSA-N
XLogP1.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-methylbutan-2-yl)urea
CID 47386745
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-hydroxypentyl)urea
CID 111338247
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
(2S)-2-[3-(3,5-dimethylphenoxy)propylamino]propanoic acid
CID 83194296
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99830440
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60573209
1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83305851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea (CID 110904066) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea is Cc1cc(C)cc(OCCNC(=O)NCCCO)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea?
The InChIKey is VQDWBYSTHSWJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-8-12(2)10-13(9-11)19-7-5-16-14(18)15-4-3-6-17/h8-10,17H,3-7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 110904066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).