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

C21H22N2O — CID 17265768

IUPAC1-(4-butylphenyl)-3-naphthalen-2-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-2-3-6-16-9-12-19(13-10-16)22-21(24)23-20-14-11-17-7-4-5-8-18(17)15-20/h4-5,7-15H,2-3,6H2,1H3,(H2,22,23,24)
InChIKeyMUUGIJPHZLWLIC-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.83
Rot. Bonds5

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

1-(4-butylphenyl)-3-naphthalen-2-ylurea (PubChem CID 17265768) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-naphthalen-2-ylurea
PubChem CID17265768
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(4-butylphenyl)-3-naphthalen-2-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-2-3-6-16-9-12-19(13-10-16)22-21(24)23-20-14-11-17-7-4-5-8-18(17)15-20/h4-5,7-15H,2-3,6H2,1H3,(H2,22,23,24)
InChIKeyMUUGIJPHZLWLIC-UHFFFAOYSA-N
XLogP5.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-(1H-indol-6-yl)-3-(4-octylphenyl)urea
CID 155412325
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(4-butylphenyl)-3-naphthalen-2-ylurea (CID 17265768) is 1-(4-butylphenyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(4-butylphenyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(4-butylphenyl)-3-naphthalen-2-ylurea is CCCCc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-naphthalen-2-ylurea?
The InChIKey is MUUGIJPHZLWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-3-6-16-9-12-19(13-10-16)22-21(24)23-20-14-11-17-7-4-5-8-18(17)15-20/h4-5,7-15H,2-3,6H2,1H3,(H2,22,23,24).
What are the key properties of 1-(4-butylphenyl)-3-naphthalen-2-ylurea?
1-(4-butylphenyl)-3-naphthalen-2-ylurea has a molecular weight of 318.42 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 17265768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).