(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate

C18H12NO4- — CID 2186539

IUPAC(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13NO4/c20-17(15-9-3-6-12-5-1-2-8-14(12)15)19-16(18(21)22)11-13-7-4-10-23-13/h1-11H,(H,19,20)(H,21,22)/p-1/b16-11+
InChIKeyPLGYDNAYLBRGQF-LFIBNONCSA-M
MW306.30 g/mol
LogP1.95
Rot. Bonds4

About (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate

(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate (PubChem CID 2186539) has the molecular formula C18H12NO4- and a molecular weight of 306.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
PubChem CID2186539
Molecular FormulaC18H12NO4-
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13NO4/c20-17(15-9-3-6-12-5-1-2-8-14(12)15)19-16(18(21)22)11-13-7-4-10-23-13/h1-11H,(H,19,20)(H,21,22)/p-1/b16-11+
InChIKeyPLGYDNAYLBRGQF-LFIBNONCSA-M
XLogP1.95
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99868609
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99889205
N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
CID 46498625
N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100556040
methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
CID 2179635
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
CID 100543952
N-[1-(furan-2-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-2-iodobenzamide
CID 2925240
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 57382767
2-chloro-N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 1163152

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The IUPAC name of (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate (CID 2186539) is (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The canonical SMILES for (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate is O=C([O-])/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
The InChIKey is PLGYDNAYLBRGQF-LFIBNONCSA-M. The full InChI is InChI=1S/C18H13NO4/c20-17(15-9-3-6-12-5-1-2-8-14(12)15)19-16(18(21)22)11-13-7-4-10-23-13/h1-11H,(H,19,20)(H,21,22)/p-1/b16-11+.
What are the key properties of (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate?
(E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate has a molecular weight of 306.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-(naphthalene-1-carbonylamino)prop-2-enoate is sourced from PubChem (CID 2186539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).