1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea

C15H24N2O3 — CID 111453148

IUPAC1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-4-12(8-9-18)16-15(19)17-14-7-6-13(20-5-2)10-11(14)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyYZHSVJOUNDLDGV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.68
Rot. Bonds7

About 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea

1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111453148) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111453148
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-4-12(8-9-18)16-15(19)17-14-7-6-13(20-5-2)10-11(14)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyYZHSVJOUNDLDGV-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
CID 87792498
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111453148) is 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea is CCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is YZHSVJOUNDLDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-12(8-9-18)16-15(19)17-14-7-6-13(20-5-2)10-11(14)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111453148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).