[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate

C25H27NO5 — CID 8846489

IUPAC[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)[C@@H](C)Oc3cccc(C)c3)ccc2c1
InChIInChI=1S/C25H27NO5/c1-17-6-5-7-23(12-17)31-18(2)25(28)30-16-24(27)26(3)15-19-8-9-21-14-22(29-4)11-10-20(21)13-19/h5-14,18H,15-16H2,1-4H3/t18-/m1/s1
InChIKeyNKESAIIXSHGEFN-GOSISDBHSA-N
MW421.49 g/mol
LogP4.13
Rot. Bonds8

About [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate (PubChem CID 8846489) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
PubChem CID8846489
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)[C@@H](C)Oc3cccc(C)c3)ccc2c1
InChIInChI=1S/C25H27NO5/c1-17-6-5-7-23(12-17)31-18(2)25(28)30-16-24(27)26(3)15-19-8-9-21-14-22(29-4)11-10-20(21)13-19/h5-14,18H,15-16H2,1-4H3/t18-/m1/s1
InChIKeyNKESAIIXSHGEFN-GOSISDBHSA-N
XLogP4.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682077
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015774
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate (CID 8846489) is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate is COc1ccc2cc(CN(C)C(=O)COC(=O)[C@@H](C)Oc3cccc(C)c3)ccc2c1.
What is the InChIKey of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate?
The InChIKey is NKESAIIXSHGEFN-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27NO5/c1-17-6-5-7-23(12-17)31-18(2)25(28)30-16-24(27)26(3)15-19-8-9-21-14-22(29-4)11-10-20(21)13-19/h5-14,18H,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate?
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate has a molecular weight of 421.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8846489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).