1-(4-butoxyphenyl)-3-naphthalen-1-ylurea

C21H22N2O2 — CID 4146159

IUPAC1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
SMILESCCCCOc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-2-3-15-25-18-13-11-17(12-14-18)22-21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,2-3,15H2,1H3,(H2,22,23,24)
InChIKeySEKCZRPHFHKYFV-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.66
Rot. Bonds6

About 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea

1-(4-butoxyphenyl)-3-naphthalen-1-ylurea (PubChem CID 4146159) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
PubChem CID4146159
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
SMILESCCCCOc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-2-3-15-25-18-13-11-17(12-14-18)22-21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,2-3,15H2,1H3,(H2,22,23,24)
InChIKeySEKCZRPHFHKYFV-UHFFFAOYSA-N
XLogP5.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
N-(4-butoxyphenyl)butanamide
CID 4939679
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
1-(4-butoxyphenyl)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800485
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea (CID 4146159) is 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea is CCCCOc1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea?
The InChIKey is SEKCZRPHFHKYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-3-15-25-18-13-11-17(12-14-18)22-21(24)23-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,2-3,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea?
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea has a molecular weight of 334.42 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 4146159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).