1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C16H26N2O3 — CID 111473927

IUPAC1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-3-6-13(9-10-19)12-17-16(20)18-14-7-5-8-15(11-14)21-4-2/h5,7-8,11,13,19H,3-4,6,9-10,12H2,1-2H3,(H2,17,18,20)
InChIKeyMQCTWRYSTYZRDH-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.01
Rot. Bonds9

About 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111473927) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111473927
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-3-6-13(9-10-19)12-17-16(20)18-14-7-5-8-15(11-14)21-4-2/h5,7-8,11,13,19H,3-4,6,9-10,12H2,1-2H3,(H2,17,18,20)
InChIKeyMQCTWRYSTYZRDH-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111473927) is 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is MQCTWRYSTYZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-6-13(9-10-19)12-17-16(20)18-14-7-5-8-15(11-14)21-4-2/h5,7-8,11,13,19H,3-4,6,9-10,12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 294.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111473927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).