[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate

C23H23NO5 — CID 9011158

IUPAC[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C23H23NO5/c1-24(14-16-4-5-19-13-21(28-3)11-8-18(19)12-16)22(25)15-29-23(26)17-6-9-20(27-2)10-7-17/h4-13H,14-15H2,1-3H3
InChIKeyVIEHKFHPLQRMOK-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.67
Rot. Bonds7

About [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 9011158) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID9011158
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C23H23NO5/c1-24(14-16-4-5-19-13-21(28-3)11-8-18(19)12-16)22(25)15-29-23(26)17-6-9-20(27-2)10-7-17/h4-13H,14-15H2,1-3H3
InChIKeyVIEHKFHPLQRMOK-UHFFFAOYSA-N
XLogP3.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015774
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011190
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 35238757
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2,5-dichlorothiophene-3-carboxylate
CID 35289032
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42006510
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 55397822
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682077
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 46613597
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846489

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate (CID 9011158) is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is VIEHKFHPLQRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-24(14-16-4-5-19-13-21(28-3)11-8-18(19)12-16)22(25)15-29-23(26)17-6-9-20(27-2)10-7-17/h4-13H,14-15H2,1-3H3.
What are the key properties of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate?
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 393.44 g/mol, XLogP of 3.67, 7 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] 4-methoxybenzoate is sourced from PubChem (CID 9011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).