1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea

C15H24N2O3 — CID 111430929

IUPAC1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCOc1ccc(NC(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-4-20-14-7-5-12(6-8-14)17-15(19)16-10-13(18)9-11(2)3/h5-8,11,13,18H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyBYAQFBUIRIGFKC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea

1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111430929) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111430929
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCOc1ccc(NC(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-4-20-14-7-5-12(6-8-14)17-15(19)16-10-13(18)9-11(2)3/h5-8,11,13,18H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyBYAQFBUIRIGFKC-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(2-hydroxy-4-methylpentyl)-3-(4-methylsulfinylphenyl)urea
CID 111617527
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(2-hydroxy-4-methylpentyl)-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111453417
1-(1-ethyl-6-oxo-3-pyridinyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 110909824
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea (CID 111430929) is 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea is CCOc1ccc(NC(=O)NCC(O)CC(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is BYAQFBUIRIGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-14-7-5-12(6-8-14)17-15(19)16-10-13(18)9-11(2)3/h5-8,11,13,18H,4,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111430929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).