[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate

C22H18F3NO5 — CID 23056911

IUPAC[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
SMILESCNCC(=O)OC(=O)c1c(Oc2ccccc2)ccc2c(C(F)(F)F)c(OC)ccc12
InChIInChI=1S/C22H18F3NO5/c1-26-12-18(27)31-21(28)19-14-8-11-17(29-2)20(22(23,24)25)15(14)9-10-16(19)30-13-6-4-3-5-7-13/h3-11,26H,12H2,1-2H3
InChIKeyQDZDVKCXZSXIKJ-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.56
Rot. Bonds6

About [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate

[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate (PubChem CID 23056911) has the molecular formula C22H18F3NO5 and a molecular weight of 433.38 g/mol. Its IUPAC name is [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
PubChem CID23056911
Molecular FormulaC22H18F3NO5
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
SMILESCNCC(=O)OC(=O)c1c(Oc2ccccc2)ccc2c(C(F)(F)F)c(OC)ccc12
InChIInChI=1S/C22H18F3NO5/c1-26-12-18(27)31-21(28)19-14-8-11-17(29-2)20(22(23,24)25)15(14)9-10-16(19)30-13-6-4-3-5-7-13/h3-11,26H,12H2,1-2H3
InChIKeyQDZDVKCXZSXIKJ-UHFFFAOYSA-N
XLogP4.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
CID 88511771
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
2,4-bis(2-methoxy-6-phenoxyphenyl)-2,4-dimethylpentan-3-one
CID 58608948
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
phenyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 67067577
2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621618
methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
CID 23039198
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate?
The IUPAC name of [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate (CID 23056911) is [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate.
What is the SMILES notation for [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate?
The canonical SMILES for [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate is CNCC(=O)OC(=O)c1c(Oc2ccccc2)ccc2c(C(F)(F)F)c(OC)ccc12.
What is the InChIKey of [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate?
The InChIKey is QDZDVKCXZSXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO5/c1-26-12-18(27)31-21(28)19-14-8-11-17(29-2)20(22(23,24)25)15(14)9-10-16(19)30-13-6-4-3-5-7-13/h3-11,26H,12H2,1-2H3.
What are the key properties of [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate?
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate has a molecular weight of 433.38 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate is sourced from PubChem (CID 23056911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).