1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea

C19H26N2O — CID 19835720

IUPAC1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-14(2)12-21(13-15(3)4)19(22)20-18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14-15H,12-13H2,1-4H3,(H,20,22)
InChIKeyCCBREKSPLXIZBT-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.99
Rot. Bonds5

About 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea

1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea (PubChem CID 19835720) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
PubChem CID19835720
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-14(2)12-21(13-15(3)4)19(22)20-18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14-15H,12-13H2,1-4H3,(H,20,22)
InChIKeyCCBREKSPLXIZBT-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea (CID 19835720) is 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea is CC(C)CN(CC(C)C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea?
The InChIKey is CCBREKSPLXIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(2)12-21(13-15(3)4)19(22)20-18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14-15H,12-13H2,1-4H3,(H,20,22).
What are the key properties of 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea?
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea has a molecular weight of 298.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 19835720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).