[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate

C22H20N2O4 — CID 7785331

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-2-23-22(27)24-20(25)19(16-10-4-3-5-11-16)28-21(26)18-14-8-12-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3,(H2,23,24,25,27)/t19-/m1/s1
InChIKeyNCOOTTXVQKJRSR-LJQANCHMSA-N
MW376.41 g/mol
LogP3.58
Rot. Bonds5

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate (PubChem CID 7785331) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
PubChem CID7785331
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-2-23-22(27)24-20(25)19(16-10-4-3-5-11-16)28-21(26)18-14-8-12-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3,(H2,23,24,25,27)/t19-/m1/s1
InChIKeyNCOOTTXVQKJRSR-LJQANCHMSA-N
XLogP3.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 7765259
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 8526571
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 7351543
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate
CID 8611552
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878447
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837730
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7837729

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate (CID 7785331) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate is CCNC(=O)NC(=O)[C@H](OC(=O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate?
The InChIKey is NCOOTTXVQKJRSR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-23-22(27)24-20(25)19(16-10-4-3-5-11-16)28-21(26)18-14-8-12-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3,(H2,23,24,25,27)/t19-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 7785331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).