1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C17H35N3O2 — CID 111120796

IUPAC1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCCCN(CCO)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H35N3O2/c1-6-7-8-9-20(10-11-21)15(22)18-14-12-16(2,3)19-17(4,5)13-14/h14,19,21H,6-13H2,1-5H3,(H,18,22)
InChIKeyTXYQXLKFPQUEEN-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.49
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 111120796) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID111120796
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCCCN(CCO)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H35N3O2/c1-6-7-8-9-20(10-11-21)15(22)18-14-12-16(2,3)19-17(4,5)13-14/h14,19,21H,6-13H2,1-5H3,(H,18,22)
InChIKeyTXYQXLKFPQUEEN-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111459192
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
N-(5-hydroxypentyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522419
N-methylmethanamine;N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 68908972
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
N-[2-(diethylamino)ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522161
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
CID 18998994

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 111120796) is 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCCCCN(CCO)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is TXYQXLKFPQUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-6-7-8-9-20(10-11-21)15(22)18-14-12-16(2,3)19-17(4,5)13-14/h14,19,21H,6-13H2,1-5H3,(H,18,22).
What are the key properties of 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 313.49 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-pentyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 111120796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).