ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate

C16H15NO3 — CID 167435011

IUPACethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
SMILESC=C(NC(=O)c1ccc2ccccc2c1)C(=O)OCC
InChIInChI=1S/C16H15NO3/c1-3-20-16(19)11(2)17-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeyVPEQIQKZQSKFJB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate

ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate (PubChem CID 167435011) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
PubChem CID167435011
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
SMILESC=C(NC(=O)c1ccc2ccccc2c1)C(=O)OCC
InChIInChI=1S/C16H15NO3/c1-3-20-16(19)11(2)17-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeyVPEQIQKZQSKFJB-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
ethane;naphthalene-2-carbohydrazide
CID 91601372
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
O-ethyl 2-naphthalen-2-ylprop-2-enethioate
CID 159583464
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide
CID 58870305
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate?
The IUPAC name of ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate (CID 167435011) is ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate.
What is the SMILES notation for ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate?
The canonical SMILES for ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate is C=C(NC(=O)c1ccc2ccccc2c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate?
The InChIKey is VPEQIQKZQSKFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-20-16(19)11(2)17-15(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,2-3H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate?
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate has a molecular weight of 269.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate is sourced from PubChem (CID 167435011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).