methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate

C22H26N2O4 — CID 97454994

IUPACmethyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26N2O4/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)23-22(26)24-19-9-11-20(12-10-19)28-14-21(25)27-2/h7-13,15H,3-6,14H2,1-2H3,(H2,23,24,26)/t15-/m1/s1
InChIKeyGUZIJFDRYXLSAH-OAHLLOKOSA-N
MW382.46 g/mol
LogP4.00
Rot. Bonds6

About methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate

methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate (PubChem CID 97454994) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
PubChem CID97454994
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26N2O4/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)23-22(26)24-19-9-11-20(12-10-19)28-14-21(25)27-2/h7-13,15H,3-6,14H2,1-2H3,(H2,23,24,26)/t15-/m1/s1
InChIKeyGUZIJFDRYXLSAH-OAHLLOKOSA-N
XLogP4.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086
4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886527
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
CID 55709002
1-[3-(4-methylphenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108881273
2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55384339
4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate (CID 97454994) is methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate?
The InChIKey is GUZIJFDRYXLSAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)23-22(26)24-19-9-11-20(12-10-19)28-14-21(25)27-2/h7-13,15H,3-6,14H2,1-2H3,(H2,23,24,26)/t15-/m1/s1.
What are the key properties of methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate?
methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate has a molecular weight of 382.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate is sourced from PubChem (CID 97454994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).