ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate

C16H15NO4 — CID 54519330

IUPACethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2cccc3ccccc23)CO1
InChIInChI=1S/C16H15NO4/c1-2-20-15(19)16(10-21-16)14(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyYOQWBNVOYNRJOB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.11
Rot. Bonds4

About ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate

ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate (PubChem CID 54519330) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
PubChem CID54519330
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2cccc3ccccc23)CO1
InChIInChI=1S/C16H15NO4/c1-2-20-15(19)16(10-21-16)14(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyYOQWBNVOYNRJOB-UHFFFAOYSA-N
XLogP2.11
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(benzylcarbamoyl)oxirane-2-carboxylate
CID 54049560
ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
CID 90911005
ethyl 2-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-1,3-dihydroindole-2-carboxylate
CID 141060202
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
ethyl 2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 21308250
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
naphthalen-1-ylurea;hydrochloride
CID 141142203
ethyl 3-[2-(naphthalen-1-ylcarbamoyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3687369
ethyl 6-methyl-4-(naphthalen-1-ylcarbamoyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 6500339
ethyl (2R)-2-cyclohexyl-3-(naphthalen-1-ylamino)-3-oxopropanoate
CID 762597
ethyl (E)-3-(naphthalen-1-ylamino)-2-(naphthalen-1-yliminomethyl)but-2-enoate
CID 139070859
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate?
The IUPAC name of ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate (CID 54519330) is ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate?
The canonical SMILES for ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate is CCOC(=O)C1(C(=O)Nc2cccc3ccccc23)CO1.
What is the InChIKey of ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate?
The InChIKey is YOQWBNVOYNRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-20-15(19)16(10-21-16)14(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate?
ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate is sourced from PubChem (CID 54519330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).