[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate

C15H21N3O4 — CID 7670898

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H21N3O4/c1-10(2)8-17-15(21)18-13(19)9-22-14(20)11-6-4-5-7-12(11)16-3/h4-7,10,16H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyWWJBYVJOTDRYLW-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.37
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7670898) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7670898
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C15H21N3O4/c1-10(2)8-17-15(21)18-13(19)9-22-14(20)11-6-4-5-7-12(11)16-3/h4-7,10,16H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyWWJBYVJOTDRYLW-UHFFFAOYSA-N
XLogP1.37
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(methylamino)benzoate
CID 2542963
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 42898503

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate (CID 7670898) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)NC(=O)NCC(C)C.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is WWJBYVJOTDRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10(2)8-17-15(21)18-13(19)9-22-14(20)11-6-4-5-7-12(11)16-3/h4-7,10,16H,8-9H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 307.35 g/mol, XLogP of 1.37, 6 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-(methylamino)benzoate is sourced from PubChem (CID 7670898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).