3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C16H24N2O2 — CID 71857908

IUPAC3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCNC(=O)N(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-2-17-16(20)18(11-6-12-19)15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19H,2,5-6,8,10-12H2,1H3,(H,17,20)
InChIKeyQERRKUFTWKTZEZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds5

About 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 71857908) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID71857908
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCNC(=O)N(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-2-17-16(20)18(11-6-12-19)15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19H,2,5-6,8,10-12H2,1H3,(H,17,20)
InChIKeyQERRKUFTWKTZEZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
1-(3-phenylpropyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 52546186
1-(3-phenylpropyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 52546187
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16770079
N-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-L-valine
CID 664101
1-Propyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 6465362
1-Methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 2832740
3-(hydroxymethyl)-N-(2-methylbenzyl)piperidine-1-carboxamide
CID 24748434
(1,2,3,4-Tetrahydronaphthalen-1-yl)urea
CID 13037020
(RS)-3-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 24748400
(S)-2-[3-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-ureido]-propionic acid
CID 9551658
1-(1,2-Diphenyl-ethyl)-3-(3-hydroxy-propyl)-urea
CID 10979426

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 71857908) is 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CCNC(=O)N(CCCO)C1CCCc2ccccc21.
What is the InChIKey of 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is QERRKUFTWKTZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17-16(20)18(11-6-12-19)15-10-5-8-13-7-3-4-9-14(13)15/h3-4,7,9,15,19H,2,5-6,8,10-12H2,1H3,(H,17,20).
What are the key properties of 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 71857908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).