methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate

C20H21NO4 — CID 51949510

IUPACmethyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)13-25-16-11-9-15(10-12-16)21-20(23)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyBCEWTDWSUCOGDJ-SFHVURJKSA-N
MW339.39 g/mol
LogP3.30
Rot. Bonds5

About methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate

methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate (PubChem CID 51949510) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
PubChem CID51949510
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H21NO4/c1-24-19(22)13-25-16-11-9-15(10-12-16)21-20(23)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyBCEWTDWSUCOGDJ-SFHVURJKSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52512198
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
3-methylsulfonyl-5-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)benzoic acid
CID 119257791
(1S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95318911
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
CID 40810648

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate (CID 51949510) is methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate?
The InChIKey is BCEWTDWSUCOGDJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-19(22)13-25-16-11-9-15(10-12-16)21-20(23)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate?
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate has a molecular weight of 339.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 51949510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).