1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea

C12H18N2O3 — CID 110896937

IUPAC1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
SMILESCCOc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-6-3-5-10(9-11)14-12(16)13-7-4-8-15/h3,5-6,9,15H,2,4,7-8H2,1H3,(H2,13,14,16)
InChIKeyBYJMKGXQTFHBAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds6

About 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea

1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea (PubChem CID 110896937) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
PubChem CID110896937
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
SMILESCCOc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-6-3-5-10(9-11)14-12(16)13-7-4-8-15/h3,5-6,9,15H,2,4,7-8H2,1H3,(H2,13,14,16)
InChIKeyBYJMKGXQTFHBAP-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
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

5-[(3-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686439
1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
CID 111117109
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea (CID 110896937) is 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea is CCOc1cccc(NC(=O)NCCCO)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea?
The InChIKey is BYJMKGXQTFHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-11-6-3-5-10(9-11)14-12(16)13-7-4-8-15/h3,5-6,9,15H,2,4,7-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea?
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.59, 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-(3-hydroxypropyl)urea is sourced from PubChem (CID 110896937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).