1-(3-hydroxyphenyl)-1-methyl-3-propylurea

C11H16N2O2 — CID 107734166

IUPAC1-(3-hydroxyphenyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-7-12-11(15)13(2)9-5-4-6-10(14)8-9/h4-6,8,14H,3,7H2,1-2H3,(H,12,15)
InChIKeyHPVDKVVKGIURDH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-hydroxyphenyl)-1-methyl-3-propylurea

1-(3-hydroxyphenyl)-1-methyl-3-propylurea (PubChem CID 107734166) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-1-methyl-3-propylurea
PubChem CID107734166
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-hydroxyphenyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-7-12-11(15)13(2)9-5-4-6-10(14)8-9/h4-6,8,14H,3,7H2,1-2H3,(H,12,15)
InChIKeyHPVDKVVKGIURDH-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(3-phenylphenyl)-3-propylurea
CID 141125806
6-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107737234
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
[3-[butylcarbamoyl(methyl)amino]phenyl]boronic acid
CID 11673237
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 107737206
[3-[heptylcarbamoyl(methyl)amino]phenyl]boronic acid
CID 11558369
(2S)-2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 107737182
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-1-methyl-3-propylurea?
The IUPAC name of 1-(3-hydroxyphenyl)-1-methyl-3-propylurea (CID 107734166) is 1-(3-hydroxyphenyl)-1-methyl-3-propylurea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-1-methyl-3-propylurea?
The canonical SMILES for 1-(3-hydroxyphenyl)-1-methyl-3-propylurea is CCCNC(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-1-methyl-3-propylurea?
The InChIKey is HPVDKVVKGIURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7-12-11(15)13(2)9-5-4-6-10(14)8-9/h4-6,8,14H,3,7H2,1-2H3,(H,12,15).
What are the key properties of 1-(3-hydroxyphenyl)-1-methyl-3-propylurea?
1-(3-hydroxyphenyl)-1-methyl-3-propylurea has a molecular weight of 208.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-1-methyl-3-propylurea is sourced from PubChem (CID 107734166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).