1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea

C14H22N2O3 — CID 47236483

IUPAC1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-11(16-14(18)15-9-10-19-2)3-4-12-5-7-13(17)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyLFDMHTUURPNYNC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.66
Rot. Bonds7

About 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea

1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea (PubChem CID 47236483) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea
PubChem CID47236483
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-11(16-14(18)15-9-10-19-2)3-4-12-5-7-13(17)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyLFDMHTUURPNYNC-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea (CID 47236483) is 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC(C)CCc1ccc(O)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea?
The InChIKey is LFDMHTUURPNYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(16-14(18)15-9-10-19-2)3-4-12-5-7-13(17)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea?
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47236483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).