1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea

C32H24N4O2 — CID 27190755

IUPAC1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
SMILESO=C(Nc1cccc2ccccc12)Nc1cccc2c(NC(=O)Nc3cccc4ccccc34)cccc12
InChIInChI=1S/C32H24N4O2/c37-31(33-27-17-5-11-21-9-1-3-13-23(21)27)35-29-19-7-16-26-25(29)15-8-20-30(26)36-32(38)34-28-18-6-12-22-10-2-4-14-24(22)28/h1-20H,(H2,33,35,37)(H2,34,36,38)
InChIKeyIHGXWQSTMRPCQY-UHFFFAOYSA-N
MW496.57 g/mol
LogP8.43
Rot. Bonds4

About 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea

1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea (PubChem CID 27190755) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
PubChem CID27190755
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC Name1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
SMILESO=C(Nc1cccc2ccccc12)Nc1cccc2c(NC(=O)Nc3cccc4ccccc34)cccc12
InChIInChI=1S/C32H24N4O2/c37-31(33-27-17-5-11-21-9-1-3-13-23(21)27)35-29-19-7-16-26-25(29)15-8-20-30(26)36-32(38)34-28-18-6-12-22-10-2-4-14-24(22)28/h1-20H,(H2,33,35,37)(H2,34,36,38)
InChIKeyIHGXWQSTMRPCQY-UHFFFAOYSA-N
XLogP8.43
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 58.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-tritylurea
CID 4029941
chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
CID 91621928

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea (CID 27190755) is 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea is O=C(Nc1cccc2ccccc12)Nc1cccc2c(NC(=O)Nc3cccc4ccccc34)cccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea?
The InChIKey is IHGXWQSTMRPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O2/c37-31(33-27-17-5-11-21-9-1-3-13-23(21)27)35-29-19-7-16-26-25(29)15-8-20-30(26)36-32(38)34-28-18-6-12-22-10-2-4-14-24(22)28/h1-20H,(H2,33,35,37)(H2,34,36,38).
What are the key properties of 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea?
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea has a molecular weight of 496.57 g/mol, XLogP of 8.43, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea is sourced from PubChem (CID 27190755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).