1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C14H22N2O3 — CID 75424341

IUPAC1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCOc1cccc(NC(=O)NC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(10-12)15-13(18)16-14(2,3)8-9-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyUEBGQOYVUNJACN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds6

About 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 75424341) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID75424341
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCOc1cccc(NC(=O)NC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(10-12)15-13(18)16-14(2,3)8-9-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyUEBGQOYVUNJACN-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 111976896
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 75424341) is 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CCOc1cccc(NC(=O)NC(C)(C)CCO)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is UEBGQOYVUNJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(10-12)15-13(18)16-14(2,3)8-9-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 75424341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).