1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea

C16H26N2O2 — CID 110890910

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
SMILESCCCCCc1ccc(NC(=O)N(CC)CCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-7-14-8-10-15(11-9-14)17-16(20)18(4-2)12-13-19/h8-11,19H,3-7,12-13H2,1-2H3,(H,17,20)
InChIKeyUUBWZMAFNLIWTN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds8

About 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea

1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea (PubChem CID 110890910) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
PubChem CID110890910
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
SMILESCCCCCc1ccc(NC(=O)N(CC)CCO)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-7-14-8-10-15(11-9-14)17-16(20)18(4-2)12-13-19/h8-11,19H,3-7,12-13H2,1-2H3,(H,17,20)
InChIKeyUUBWZMAFNLIWTN-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
3-(4-dodecylphenyl)-1,1-diphenylurea
CID 14256057
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115914152
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-heptylphenyl)heptanamide
CID 101077737
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
N'-(4-dodecylphenyl)oxamide
CID 118096540

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea (CID 110890910) is 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea is CCCCCc1ccc(NC(=O)N(CC)CCO)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea?
The InChIKey is UUBWZMAFNLIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-6-7-14-8-10-15(11-9-14)17-16(20)18(4-2)12-13-19/h8-11,19H,3-7,12-13H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea is sourced from PubChem (CID 110890910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).