1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea

C21H22N2O — CID 108884834

IUPAC1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-21(2,3)17-9-12-18(13-10-17)22-20(24)23-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3,(H2,22,23,24)
InChIKeyFJYPUKQFDLKYRV-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.78
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea

1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea (PubChem CID 108884834) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
PubChem CID108884834
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-21(2,3)17-9-12-18(13-10-17)22-20(24)23-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3,(H2,22,23,24)
InChIKeyFJYPUKQFDLKYRV-UHFFFAOYSA-N
XLogP5.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea (CID 108884834) is 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea is CC(C)(C)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea?
The InChIKey is FJYPUKQFDLKYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-21(2,3)17-9-12-18(13-10-17)22-20(24)23-19-11-8-15-6-4-5-7-16(15)14-19/h4-14H,1-3H3,(H2,22,23,24).
What are the key properties of 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea?
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea has a molecular weight of 318.42 g/mol, XLogP of 5.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 108884834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).