ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate

C16H16N2O3 — CID 90911005

IUPACethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
SMILESCCOC(=O)C(C)=NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H16N2O3/c1-3-21-15(19)11(2)17-16(20)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyFHSTUZMFFPEUNX-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.40
Rot. Bonds3

About ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate

ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate (PubChem CID 90911005) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate.

Molecular Properties

Compound Nameethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
PubChem CID90911005
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
SMILESCCOC(=O)C(C)=NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H16N2O3/c1-3-21-15(19)11(2)17-16(20)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyFHSTUZMFFPEUNX-UHFFFAOYSA-N
XLogP3.40
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[(8-hydroxynaphthalen-1-yl)carbamoylimino]propanoate
CID 91326303
ethyl (E)-3-(naphthalen-1-ylamino)-2-(naphthalen-1-yliminomethyl)but-2-enoate
CID 139070859
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
CID 54519330
methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate
CID 91584915
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
naphthalen-1-ylurea;hydrochloride
CID 141142203
[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 6241092
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
ethyl 2-benzyl-3-(naphthalen-1-ylamino)-3-oxopropanoate
CID 2836856
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate?
The IUPAC name of ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate (CID 90911005) is ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate.
What is the SMILES notation for ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate?
The canonical SMILES for ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate is CCOC(=O)C(C)=NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate?
The InChIKey is FHSTUZMFFPEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-15(19)11(2)17-16(20)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate?
ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate has a molecular weight of 284.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate is sourced from PubChem (CID 90911005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).