1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea

C25H30N2O — CID 14977471

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C25H30N2O/c1-17(2)22-10-7-11-23(18(3)4)24(22)27-25(28)26-15-14-19-12-13-20-8-5-6-9-21(20)16-19/h5-13,16-18H,14-15H2,1-4H3,(H2,26,27,28)
InChIKeySOIHAKJVDUXWEA-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.45
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea (PubChem CID 14977471) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea
PubChem CID14977471
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C25H30N2O/c1-17(2)22-10-7-11-23(18(3)4)24(22)27-25(28)26-15-14-19-12-13-20-8-5-6-9-21(20)16-19/h5-13,16-18H,14-15H2,1-4H3,(H2,26,27,28)
InChIKeySOIHAKJVDUXWEA-UHFFFAOYSA-N
XLogP6.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea (CID 14977471) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea?
The InChIKey is SOIHAKJVDUXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-17(2)22-10-7-11-23(18(3)4)24(22)27-25(28)26-15-14-19-12-13-20-8-5-6-9-21(20)16-19/h5-13,16-18H,14-15H2,1-4H3,(H2,26,27,28).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea has a molecular weight of 374.53 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 14977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).