1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C19H26N2O2 — CID 47032244

IUPAC1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H26N2O2/c22-19(21(16-8-9-16)12-14-10-11-23-13-14)20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7,14,16H,1-2,4,6,8-13H2,(H,20,22)
InChIKeyJPUBSMKDBFNUAF-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds4

About 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 47032244) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID47032244
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H26N2O2/c22-19(21(16-8-9-16)12-14-10-11-23-13-14)20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7,14,16H,1-2,4,6,8-13H2,(H,20,22)
InChIKeyJPUBSMKDBFNUAF-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43192228
2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142304
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
CID 133122746
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
1-cyclopropyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 47033539

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 47032244) is 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CCCC2)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is JPUBSMKDBFNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(21(16-8-9-16)12-14-10-11-23-13-14)20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7,14,16H,1-2,4,6,8-13H2,(H,20,22).
What are the key properties of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 314.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47032244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).