1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea

C17H28N2O3 — CID 173114300

IUPAC1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea
SMILESCCNC(=O)NC(CCOC)CCc1ccccc1OCC
InChIInChI=1S/C17H28N2O3/c1-4-18-17(20)19-15(12-13-21-3)11-10-14-8-6-7-9-16(14)22-5-2/h6-9,15H,4-5,10-13H2,1-3H3,(H2,18,19,20)
InChIKeyRZYSVVDGFRPWTC-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.74
Rot. Bonds10

About 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea

1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea (PubChem CID 173114300) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea
PubChem CID173114300
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea
SMILESCCNC(=O)NC(CCOC)CCc1ccccc1OCC
InChIInChI=1S/C17H28N2O3/c1-4-18-17(20)19-15(12-13-21-3)11-10-14-8-6-7-9-16(14)22-5-2/h6-9,15H,4-5,10-13H2,1-3H3,(H2,18,19,20)
InChIKeyRZYSVVDGFRPWTC-UHFFFAOYSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea
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1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
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2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea (CID 173114300) is 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea is CCNC(=O)NC(CCOC)CCc1ccccc1OCC.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea?
The InChIKey is RZYSVVDGFRPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-18-17(20)19-15(12-13-21-3)11-10-14-8-6-7-9-16(14)22-5-2/h6-9,15H,4-5,10-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea?
1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea has a molecular weight of 308.42 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-5-methoxypentan-3-yl]-3-ethylurea is sourced from PubChem (CID 173114300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).