[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate

C19H20N2O5 — CID 7862107

IUPAC[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O5/c1-3-20-19(24)21-17(22)16(13-7-5-4-6-8-13)26-18(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyCBXRJNUBKWTPAQ-INIZCTEOSA-N
MW356.38 g/mol
LogP2.44
Rot. Bonds6

About [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate (PubChem CID 7862107) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
PubChem CID7862107
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
SMILESCCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O5/c1-3-20-19(24)21-17(22)16(13-7-5-4-6-8-13)26-18(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyCBXRJNUBKWTPAQ-INIZCTEOSA-N
XLogP2.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-hydroxy-5-methoxybenzoate
CID 33278355
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147468
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316693
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-hydroxy-4-methylbenzoate
CID 55460171
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 8017831
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010623
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841845
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 7785331
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate
CID 8611552

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate (CID 7862107) is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate.
What is the SMILES notation for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The canonical SMILES for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate is CCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The InChIKey is CBXRJNUBKWTPAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-20-19(24)21-17(22)16(13-7-5-4-6-8-13)26-18(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,20,21,22,24)/t16-/m0/s1.
What are the key properties of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate has a molecular weight of 356.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate is sourced from PubChem (CID 7862107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).