1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea

C26H24N4O4 — CID 102497884

IUPAC1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc3cccc(NC(=O)Nc4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C26H24N4O4/c1-33-20-13-9-18(10-14-20)27-25(31)29-22-7-3-5-17-6-4-8-23(24(17)22)30-26(32)28-19-11-15-21(34-2)16-12-19/h3-16H,1-2H3,(H2,27,29,31)(H2,28,30,32)
InChIKeyBFVFWHMCDSQGQF-UHFFFAOYSA-N
MW456.50 g/mol
LogP6.14
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea

1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea (PubChem CID 102497884) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
PubChem CID102497884
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc3cccc(NC(=O)Nc4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C26H24N4O4/c1-33-20-13-9-18(10-14-20)27-25(31)29-22-7-3-5-17-6-4-8-23(24(17)22)30-26(32)28-19-11-15-21(34-2)16-12-19/h3-16H,1-2H3,(H2,27,29,31)(H2,28,30,32)
InChIKeyBFVFWHMCDSQGQF-UHFFFAOYSA-N
XLogP6.14
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
CID 43602404
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea (CID 102497884) is 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea is COc1ccc(NC(=O)Nc2cccc3cccc(NC(=O)Nc4ccc(OC)cc4)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea?
The InChIKey is BFVFWHMCDSQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-33-20-13-9-18(10-14-20)27-25(31)29-22-7-3-5-17-6-4-8-23(24(17)22)30-26(32)28-19-11-15-21(34-2)16-12-19/h3-16H,1-2H3,(H2,27,29,31)(H2,28,30,32).
What are the key properties of 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea?
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea has a molecular weight of 456.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea is sourced from PubChem (CID 102497884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).