[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C22H26N2O5 — CID 7882709

IUPAC[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H26N2O5/c1-4-15(2)18-10-5-6-11-19(18)24-20(25)14-29-21(26)13-23-22(27)16-8-7-9-17(12-16)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1
InChIKeyYMHSWZIFOCSVSW-OAHLLOKOSA-N
MW398.46 g/mol
LogP3.12
Rot. Bonds9

About [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7882709) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7882709
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H26N2O5/c1-4-15(2)18-10-5-6-11-19(18)24-20(25)14-29-21(26)13-23-22(27)16-8-7-9-17(12-16)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1
InChIKeyYMHSWZIFOCSVSW-OAHLLOKOSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate
CID 7889644
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2478518
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7881991
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883662
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882697
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 7882709) is [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1cccc(OC)c1.
What is the InChIKey of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is YMHSWZIFOCSVSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-15(2)18-10-5-6-11-19(18)24-20(25)14-29-21(26)13-23-22(27)16-8-7-9-17(12-16)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-/m1/s1.
What are the key properties of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 398.46 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7882709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).