1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C23H28N2O4 — CID 24959504

IUPAC1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCCOc1ccc2c(c1)OC(CNC(=O)Nc1cccc3c1CC(O)CC3)CC2
InChIInChI=1S/C23H28N2O4/c1-2-28-18-10-7-16-8-11-19(29-22(16)13-18)14-24-23(27)25-21-5-3-4-15-6-9-17(26)12-20(15)21/h3-5,7,10,13,17,19,26H,2,6,8-9,11-12,14H2,1H3,(H2,24,25,27)
InChIKeyWQIDWTQBNDYIOX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.45
Rot. Bonds5

About 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 24959504) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID24959504
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCCOc1ccc2c(c1)OC(CNC(=O)Nc1cccc3c1CC(O)CC3)CC2
InChIInChI=1S/C23H28N2O4/c1-2-28-18-10-7-16-8-11-19(29-22(16)13-18)14-24-23(27)25-21-5-3-4-15-6-9-17(26)12-20(15)21/h3-5,7,10,13,17,19,26H,2,6,8-9,11-12,14H2,1H3,(H2,24,25,27)
InChIKeyWQIDWTQBNDYIOX-UHFFFAOYSA-N
XLogP3.45
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 24959504) is 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is CCOc1ccc2c(c1)OC(CNC(=O)Nc1cccc3c1CC(O)CC3)CC2.
What is the InChIKey of 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is WQIDWTQBNDYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-28-18-10-7-16-8-11-19(29-22(16)13-18)14-24-23(27)25-21-5-3-4-15-6-9-17(26)12-20(15)21/h3-5,7,10,13,17,19,26H,2,6,8-9,11-12,14H2,1H3,(H2,24,25,27).
What are the key properties of 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 396.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-ethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 24959504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).