[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate

C21H24N2O5 — CID 2605824

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24N2O5/c1-15(2)12-22-21(26)23-19(24)14-28-20(25)17-10-6-7-11-18(17)27-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,24,26)
InChIKeyQKCINRAKZDHPHX-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.90
Rot. Bonds8

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 2605824) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID2605824
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24N2O5/c1-15(2)12-22-21(26)23-19(24)14-28-20(25)17-10-6-7-11-18(17)27-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,24,26)
InChIKeyQKCINRAKZDHPHX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985884

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate (CID 2605824) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate is CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is QKCINRAKZDHPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-15(2)12-22-21(26)23-19(24)14-28-20(25)17-10-6-7-11-18(17)27-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,24,26).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2605824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).