[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate

C25H27FN2O4 — CID 18285291

IUPAC[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12
InChIInChI=1S/C25H27FN2O4/c1-4-27(14-17-6-5-7-18(26)12-17)23(29)15-32-25(30)24-16(2)28(19-8-9-19)22-11-10-20(31-3)13-21(22)24/h5-7,10-13,19H,4,8-9,14-15H2,1-3H3
InChIKeyXRTPTOCOGBBYBT-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.64
Rot. Bonds8

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate (PubChem CID 18285291) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
PubChem CID18285291
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12
InChIInChI=1S/C25H27FN2O4/c1-4-27(14-17-6-5-7-18(26)12-17)23(29)15-32-25(30)24-16(2)28(19-8-9-19)22-11-10-20(31-3)13-21(22)24/h5-7,10-13,19H,4,8-9,14-15H2,1-3H3
InChIKeyXRTPTOCOGBBYBT-UHFFFAOYSA-N
XLogP4.64
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46538497
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 47047870
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 16603174
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 55401385
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567498
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644203
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8628009
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640929
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 16603169
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate (CID 18285291) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate.
What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12.
What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The InChIKey is XRTPTOCOGBBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4/c1-4-27(14-17-6-5-7-18(26)12-17)23(29)15-32-25(30)24-16(2)28(19-8-9-19)22-11-10-20(31-3)13-21(22)24/h5-7,10-13,19H,4,8-9,14-15H2,1-3H3.
What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate has a molecular weight of 438.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 18285291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).