[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C22H25N3O5 — CID 8921273

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(2)12-24-22(29)25-19(26)14-30-20(27)13-23-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H2,24,25,26,29)
InChIKeyVFRNOGIYOGAVQT-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.11
Rot. Bonds8

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 8921273) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID8921273
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(2)12-24-22(29)25-19(26)14-30-20(27)13-23-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H2,24,25,26,29)
InChIKeyVFRNOGIYOGAVQT-UHFFFAOYSA-N
XLogP2.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878911
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 8921273) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is CC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is VFRNOGIYOGAVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15(2)12-24-22(29)25-19(26)14-30-20(27)13-23-21(28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,28)(H2,24,25,26,29).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 411.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 8921273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).