1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea

C22H18N2O — CID 27185701

IUPAC1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N2O/c25-22(24-21-14-6-10-17-8-2-4-13-20(17)21)23-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-14H,15H2,(H2,23,24,25)
InChIKeyYPCUIBPOJGMHBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.31
Rot. Bonds3

About 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea

1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea (PubChem CID 27185701) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
PubChem CID27185701
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C22H18N2O/c25-22(24-21-14-6-10-17-8-2-4-13-20(17)21)23-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-14H,15H2,(H2,23,24,25)
InChIKeyYPCUIBPOJGMHBG-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
CID 4176167
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea (CID 27185701) is 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea is O=C(NCc1cccc2ccccc12)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is YPCUIBPOJGMHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22(24-21-14-6-10-17-8-2-4-13-20(17)21)23-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-14H,15H2,(H2,23,24,25).
What are the key properties of 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea?
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 326.40 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 27185701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).