1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea

C19H28N2O3 — CID 129379062

IUPAC1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H](C)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-13(16-8-9-24-12-16)21-19(22)20-11-15-5-3-4-14-10-17(23-2)6-7-18(14)15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3,(H2,20,21,22)/t13-,15-,16+/m1/s1
InChIKeyOATLZUHBOOVICS-BMFZPTHFSA-N
MW332.44 g/mol
LogP2.84
Rot. Bonds5

About 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea

1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea (PubChem CID 129379062) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
PubChem CID129379062
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H](C)[C@H]1CCOC1
InChIInChI=1S/C19H28N2O3/c1-13(16-8-9-24-12-16)21-19(22)20-11-15-5-3-4-14-10-17(23-2)6-7-18(14)15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3,(H2,20,21,22)/t13-,15-,16+/m1/s1
InChIKeyOATLZUHBOOVICS-BMFZPTHFSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97309468
1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889556
1-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889561
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 99638268
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea (CID 129379062) is 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea is COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N[C@H](C)[C@H]1CCOC1.
What is the InChIKey of 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The InChIKey is OATLZUHBOOVICS-BMFZPTHFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(16-8-9-24-12-16)21-19(22)20-11-15-5-3-4-14-10-17(23-2)6-7-18(14)15/h6-7,10,13,15-16H,3-5,8-9,11-12H2,1-2H3,(H2,20,21,22)/t13-,15-,16+/m1/s1.
What are the key properties of 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea has a molecular weight of 332.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 129379062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).