1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C24H28N2O3 — CID 24959500

IUPAC1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CC(O)CC2)NC1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C24H28N2O3/c27-17-10-8-16-5-3-7-21(20(16)14-17)25-24(28)26-22-12-13-29-23-18-6-2-1-4-15(18)9-11-19(22)23/h3,5,7,9,11,17,22,27H,1-2,4,6,8,10,12-14H2,(H2,25,26,28)
InChIKeyPSKUBSBSQWKIRZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.06
Rot. Bonds2

About 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 24959500) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID24959500
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CC(O)CC2)NC1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C24H28N2O3/c27-17-10-8-16-5-3-7-21(20(16)14-17)25-24(28)26-22-12-13-29-23-18-6-2-1-4-15(18)9-11-19(22)23/h3,5,7,9,11,17,22,27H,1-2,4,6,8,10,12-14H2,(H2,25,26,28)
InChIKeyPSKUBSBSQWKIRZ-UHFFFAOYSA-N
XLogP4.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea with MolForge

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Related Compounds

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CID 71599574
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CID 19696265
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 25265200
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 25264908
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
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CID 24960233
1-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 66685021
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 59666305
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 24959500) is 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CC(O)CC2)NC1CCOc2c1ccc1c2CCCC1.
What is the InChIKey of 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is PSKUBSBSQWKIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-17-10-8-16-5-3-7-21(20(16)14-17)25-24(28)26-22-12-13-29-23-18-6-2-1-4-15(18)9-11-19(22)23/h3,5,7,9,11,17,22,27H,1-2,4,6,8,10,12-14H2,(H2,25,26,28).
What are the key properties of 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 392.50 g/mol, XLogP of 4.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-yl)-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 24959500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).