3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

C18H19NO2 — CID 76856320

IUPAC3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc3c2CCCC3)o1
InChIInChI=1S/C18H19NO2/c1-13-9-10-15(21-13)11-12-18(20)19-17-8-4-6-14-5-2-3-7-16(14)17/h4,6,8-12H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyGMDHZSUTUZBKAE-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (PubChem CID 76856320) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
PubChem CID76856320
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc3c2CCCC3)o1
InChIInChI=1S/C18H19NO2/c1-13-9-10-15(21-13)11-12-18(20)19-17-8-4-6-14-5-2-3-7-16(14)17/h4,6,8-12H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyGMDHZSUTUZBKAE-UHFFFAOYSA-N
XLogP4.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide 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

(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
CID 47131724
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate
CID 7218047
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47234593

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide (CID 76856320) is 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccc3c2CCCC3)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
The InChIKey is GMDHZSUTUZBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-9-10-15(21-13)11-12-18(20)19-17-8-4-6-14-5-2-3-7-16(14)17/h4,6,8-12H,2-3,5,7H2,1H3,(H,19,20).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 76856320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).