[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate

C16H22N2O4 — CID 7783115

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(2)8-9-17-14(19)11-22-15(20)10-18-16(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOMUVMSIMBHSZDE-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate

[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 7783115) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID7783115
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(2)8-9-17-14(19)11-22-15(20)10-18-16(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOMUVMSIMBHSZDE-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883172
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate
CID 7889644
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate (CID 7783115) is [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate is CC(C)CCNC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is OMUVMSIMBHSZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(2)8-9-17-14(19)11-22-15(20)10-18-16(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 306.36 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 7783115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).