[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate

C21H24N2O5 — CID 2582854

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCOc1cccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)19(23-20(25)15-8-5-4-6-9-15)21(26)28-13-18(24)22-16-10-7-11-17(12-16)27-3/h4-12,14,19H,13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyIRWKGTRCAFCKFI-LJQANCHMSA-N
MW384.43 g/mol
LogP2.63
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate

[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate (PubChem CID 2582854) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
PubChem CID2582854
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCOc1cccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)19(23-20(25)15-8-5-4-6-9-15)21(26)28-13-18(24)22-16-10-7-11-17(12-16)27-3/h4-12,14,19H,13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyIRWKGTRCAFCKFI-LJQANCHMSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate 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-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-(3-nitroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2583004
N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
CID 51194801
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 78605042
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
[2-(3-acetylanilino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 4588191
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306175
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate (CID 2582854) is [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate is COc1cccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The InChIKey is IRWKGTRCAFCKFI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(2)19(23-20(25)15-8-5-4-6-9-15)21(26)28-13-18(24)22-16-10-7-11-17(12-16)27-3/h4-12,14,19H,13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m1/s1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate has a molecular weight of 384.43 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2582854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).