1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea

C14H22N2O2 — CID 51102905

IUPAC1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
SMILESCCCCNC(=O)NCc1ccc(C(C)O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-15-14(18)16-10-12-5-7-13(8-6-12)11(2)17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeySFNURGLGKRHKGC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds6

About 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea

1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea (PubChem CID 51102905) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
PubChem CID51102905
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
SMILESCCCCNC(=O)NCc1ccc(C(C)O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-15-14(18)16-10-12-5-7-13(8-6-12)11(2)17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeySFNURGLGKRHKGC-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
1-butyl-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38948989
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
5-[(4-ethylphenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 106900476
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea?
The IUPAC name of 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea (CID 51102905) is 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea?
The canonical SMILES for 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea is CCCCNC(=O)NCc1ccc(C(C)O)cc1.
What is the InChIKey of 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea?
The InChIKey is SFNURGLGKRHKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-15-14(18)16-10-12-5-7-13(8-6-12)11(2)17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea?
1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea is sourced from PubChem (CID 51102905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).