1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C13H18N2O2 — CID 54214032

IUPAC1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCCNC(=O)N[C@H]1CC[C@H](O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-2-14-13(17)15-11-7-8-12(16)10-6-4-3-5-9(10)11/h3-6,11-12,16H,2,7-8H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1
InChIKeyPXWOVMGOYNJXKZ-RYUDHWBXSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds2

About 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 54214032) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID54214032
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCCNC(=O)N[C@H]1CC[C@H](O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-2-14-13(17)15-11-7-8-12(16)10-6-4-3-5-9(10)11/h3-6,11-12,16H,2,7-8H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1
InChIKeyPXWOVMGOYNJXKZ-RYUDHWBXSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
CID 42928312
1-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-3-ethylurea
CID 7112992
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11412678
bis(1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-ethylurea);hydrate
CID 21153532
1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea
CID 121216854
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 139362916
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
CID 168788131
1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
CID 127013922
N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 122270460

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 54214032) is 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea is CCNC(=O)N[C@H]1CC[C@H](O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is PXWOVMGOYNJXKZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-14-13(17)15-11-7-8-12(16)10-6-4-3-5-9(10)11/h3-6,11-12,16H,2,7-8H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1.
What are the key properties of 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 234.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 54214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).