1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

C14H20N2O — CID 127321753

IUPAC1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C(=O)N(C)C1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-15(2)14(17)16(3)13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyNRNHITCBKCXISP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds1

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

1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (PubChem CID 127321753) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
PubChem CID127321753
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C)C(=O)N(C)C1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-15(2)14(17)16(3)13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyNRNHITCBKCXISP-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (CID 127321753) is 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is CN(C)C(=O)N(C)C1CCc2ccccc2C1.
What is the InChIKey of 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The InChIKey is NRNHITCBKCXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(2)14(17)16(3)13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 127321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).