1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea

C30H40N4O2 — CID 43834022

IUPAC1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C30H40N4O2/c35-29(33-27-16-6-12-23-10-1-3-14-25(23)27)31-19-21-8-5-9-22(18-21)20-32-30(36)34-28-17-7-13-24-11-2-4-15-26(24)28/h6-7,12-13,16-17,21-22H,1-5,8-11,14-15,18-20H2,(H2,31,33,35)(H2,32,34,36)
InChIKeyZVNRWRJELICBNW-UHFFFAOYSA-N
MW488.68 g/mol
LogP6.19
Rot. Bonds6

About 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea (PubChem CID 43834022) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
PubChem CID43834022
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2
InChIInChI=1S/C30H40N4O2/c35-29(33-27-16-6-12-23-10-1-3-14-25(23)27)31-19-21-8-5-9-22(18-21)20-32-30(36)34-28-17-7-13-24-11-2-4-15-26(24)28/h6-7,12-13,16-17,21-22H,1-5,8-11,14-15,18-20H2,(H2,31,33,35)(H2,32,34,36)
InChIKeyZVNRWRJELICBNW-UHFFFAOYSA-N
XLogP6.19
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 56.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea (CID 43834022) is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea is O=C(NCC1CCCC(CNC(=O)Nc2cccc3c2CCCC3)C1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The InChIKey is ZVNRWRJELICBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c35-29(33-27-16-6-12-23-10-1-3-14-25(23)27)31-19-21-8-5-9-22(18-21)20-32-30(36)34-28-17-7-13-24-11-2-4-15-26(24)28/h6-7,12-13,16-17,21-22H,1-5,8-11,14-15,18-20H2,(H2,31,33,35)(H2,32,34,36).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea has a molecular weight of 488.68 g/mol, XLogP of 6.19, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 43834022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).