1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea

C14H22N2O3 — CID 111452541

IUPAC1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-11(9-10-17)15-14(18)16-12-5-7-13(8-6-12)19-4-2/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyVVXLISFIZSDSQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea

1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111452541) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111452541
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC(CC)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-11(9-10-17)15-14(18)16-12-5-7-13(8-6-12)19-4-2/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyVVXLISFIZSDSQU-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
1-(4-methoxyphenyl)-3-[1-[(4-methoxyphenyl)carbamoylamino]pentan-3-yl]urea
CID 55629361
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 2044140
1-(1-aminopentan-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564852
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111452541) is 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea is CCOc1ccc(NC(=O)NC(CC)CCO)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is VVXLISFIZSDSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-11(9-10-17)15-14(18)16-12-5-7-13(8-6-12)19-4-2/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111452541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).