[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate

C19H21N3O5 — CID 7603264

IUPAC[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)c1ccccc1NCCO)c1ccccc1
InChIInChI=1S/C19H21N3O5/c1-20-19(26)22-17(24)16(13-7-3-2-4-8-13)27-18(25)14-9-5-6-10-15(14)21-11-12-23/h2-10,16,21,23H,11-12H2,1H3,(H2,20,22,24,26)/t16-/m0/s1
InChIKeyCAGJZMKUFZTXJP-INIZCTEOSA-N
MW371.39 g/mol
LogP1.44
Rot. Bonds7

About [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7603264) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7603264
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)c1ccccc1NCCO)c1ccccc1
InChIInChI=1S/C19H21N3O5/c1-20-19(26)22-17(24)16(13-7-3-2-4-8-13)27-18(25)14-9-5-6-10-15(14)21-11-12-23/h2-10,16,21,23H,11-12H2,1H3,(H2,20,22,24,26)/t16-/m0/s1
InChIKeyCAGJZMKUFZTXJP-INIZCTEOSA-N
XLogP1.44
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate with MolForge

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602760
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927180
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602871
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 2674891
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate (CID 7603264) is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate is CNC(=O)NC(=O)[C@@H](OC(=O)c1ccccc1NCCO)c1ccccc1.
What is the InChIKey of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is CAGJZMKUFZTXJP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-20-19(26)22-17(24)16(13-7-3-2-4-8-13)27-18(25)14-9-5-6-10-15(14)21-11-12-23/h2-10,16,21,23H,11-12H2,1H3,(H2,20,22,24,26)/t16-/m0/s1.
What are the key properties of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate?
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 371.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7603264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).