1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C19H22N2O3 — CID 29028114

IUPAC1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H22N2O3/c1-23-14-10-11-15-13(12-14)6-5-8-16(15)20-19(22)21-17-7-3-4-9-18(17)24-2/h3-4,7,9-12,16H,5-6,8H2,1-2H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyOMPAHEJLLCKSAI-INIZCTEOSA-N
MW326.40 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 29028114) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID29028114
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H22N2O3/c1-23-14-10-11-15-13(12-14)6-5-8-16(15)20-19(22)21-17-7-3-4-9-18(17)24-2/h3-4,7,9-12,16H,5-6,8H2,1-2H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyOMPAHEJLLCKSAI-INIZCTEOSA-N
XLogP3.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea
CID 167858635
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea
CID 133216380
methyl 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]benzoate
CID 133216370
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
1-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methylphenyl)thiourea
CID 100728030
1-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methylphenyl)thiourea
CID 100728041
1-(3-bromophenyl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 133216340
1-(3-chloro-4-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100728492

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 29028114) is 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea is COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is OMPAHEJLLCKSAI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-14-10-11-15-13(12-14)6-5-8-16(15)20-19(22)21-17-7-3-4-9-18(17)24-2/h3-4,7,9-12,16H,5-6,8H2,1-2H3,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 29028114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).