[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate

C27H25N3O5 — CID 40940484

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H25N3O5/c1-17-26(21-12-5-6-13-22(21)29-17)24(31)16-34-25(32)15-23(30-27(28)33)18-8-7-11-20(14-18)35-19-9-3-2-4-10-19/h2-14,23,29H,15-16H2,1H3,(H3,28,30,33)/t23-/m1/s1
InChIKeyGLOATBUOIYEHEN-HSZRJFAPSA-N
MW471.51 g/mol
LogP4.79
Rot. Bonds9

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate (PubChem CID 40940484) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
PubChem CID40940484
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H25N3O5/c1-17-26(21-12-5-6-13-22(21)29-17)24(31)16-34-25(32)15-23(30-27(28)33)18-8-7-11-20(14-18)35-19-9-3-2-4-10-19/h2-14,23,29H,15-16H2,1H3,(H3,28,30,33)/t23-/m1/s1
InChIKeyGLOATBUOIYEHEN-HSZRJFAPSA-N
XLogP4.79
TPSA123.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate 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

phenacyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8610074
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
[2-(4-chlorophenyl)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 2401781
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 136744983
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843521
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate (CID 40940484) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
The InChIKey is GLOATBUOIYEHEN-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-26(21-12-5-6-13-22(21)29-17)24(31)16-34-25(32)15-23(30-27(28)33)18-8-7-11-20(14-18)35-19-9-3-2-4-10-19/h2-14,23,29H,15-16H2,1H3,(H3,28,30,33)/t23-/m1/s1.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate has a molecular weight of 471.51 g/mol, XLogP of 4.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate is sourced from PubChem (CID 40940484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).