1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea

C17H28N2O2 — CID 61348218

IUPAC1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCCCN(CCCC)C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-11-19(12-7-5-2)17(21)18-16-10-8-9-15(13-16)14(3)20/h8-10,13-14,20H,4-7,11-12H2,1-3H3,(H,18,21)
InChIKeyDYBQBBBUZCKZNO-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.17
Rot. Bonds8

About 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea

1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61348218) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61348218
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCCCCN(CCCC)C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-4-6-11-19(12-7-5-2)17(21)18-16-10-8-9-15(13-16)14(3)20/h8-10,13-14,20H,4-7,11-12H2,1-3H3,(H,18,21)
InChIKeyDYBQBBBUZCKZNO-UHFFFAOYSA-N
XLogP4.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61438276
1,1-bis(cyanomethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339790
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
1-[3-(1-hydroxyethyl)phenyl]-3-octan-2-ylurea
CID 61478879
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61348218) is 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea is CCCCN(CCCC)C(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is DYBQBBBUZCKZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-11-19(12-7-5-2)17(21)18-16-10-8-9-15(13-16)14(3)20/h8-10,13-14,20H,4-7,11-12H2,1-3H3,(H,18,21).
What are the key properties of 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea?
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 292.42 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61348218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).