ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

C19H22N2O5 — CID 139246635

IUPACethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@](C)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O5/c1-4-25-17(23)20-21(18(24)26-5-2)19(3,13-22)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3,(H,20,23)/t19-/m1/s1
InChIKeyJLYQPAMLBRZBAA-LJQANCHMSA-N
MW358.39 g/mol
LogP3.37
Rot. Bonds5

About ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (PubChem CID 139246635) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
PubChem CID139246635
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@](C)(C=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O5/c1-4-25-17(23)20-21(18(24)26-5-2)19(3,13-22)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3,(H,20,23)/t19-/m1/s1
InChIKeyJLYQPAMLBRZBAA-LJQANCHMSA-N
XLogP3.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (CID 139246635) is ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is CCOC(=O)NN(C(=O)OCC)[C@](C)(C=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is JLYQPAMLBRZBAA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-25-17(23)20-21(18(24)26-5-2)19(3,13-22)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3,(H,20,23)/t19-/m1/s1.
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?
ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 358.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 139246635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).