1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea

C17H28N2O3 — CID 173114298

IUPAC1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea
SMILESCCNC(=O)NC(C)(CCOC)Cc1ccccc1OCC
InChIInChI=1S/C17H28N2O3/c1-5-18-16(20)19-17(3,11-12-21-4)13-14-9-7-8-10-15(14)22-6-2/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19,20)
InChIKeySQNDUXCOHXTYDP-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.74
Rot. Bonds9

About 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea

1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea (PubChem CID 173114298) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea
PubChem CID173114298
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea
SMILESCCNC(=O)NC(C)(CCOC)Cc1ccccc1OCC
InChIInChI=1S/C17H28N2O3/c1-5-18-16(20)19-17(3,11-12-21-4)13-14-9-7-8-10-15(14)22-6-2/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19,20)
InChIKeySQNDUXCOHXTYDP-UHFFFAOYSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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)-5-methoxypentan-3-yl]-3-ethylurea
CID 173114300
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2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
1-tert-butyl-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 110967302
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
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2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea (CID 173114298) is 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea is CCNC(=O)NC(C)(CCOC)Cc1ccccc1OCC.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea?
The InChIKey is SQNDUXCOHXTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-18-16(20)19-17(3,11-12-21-4)13-14-9-7-8-10-15(14)22-6-2/h7-10H,5-6,11-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea?
1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea has a molecular weight of 308.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-4-methoxy-2-methylbutan-2-yl]-3-ethylurea is sourced from PubChem (CID 173114298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).