1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea

C14H22N2O3 — CID 111336863

IUPAC1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
SMILESCCOc1cc(C)ccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-4-19-13-9-10(2)5-6-12(13)16-14(18)15-8-7-11(3)17/h5-6,9,11,17H,4,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyYJXXXTVMIQJOAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds6

About 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea

1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea (PubChem CID 111336863) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
PubChem CID111336863
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
SMILESCCOc1cc(C)ccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-4-19-13-9-10(2)5-6-12(13)16-14(18)15-8-7-11(3)17/h5-6,9,11,17H,4,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyYJXXXTVMIQJOAN-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea (CID 111336863) is 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea is CCOc1cc(C)ccc1NC(=O)NCCC(C)O.
What is the InChIKey of 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea?
The InChIKey is YJXXXTVMIQJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-13-9-10(2)5-6-12(13)16-14(18)15-8-7-11(3)17/h5-6,9,11,17H,4,7-8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea?
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).