N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide

C23H27NO2 — CID 44582900

IUPACN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C23H27NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h3-6,8-11,16,19-20H,1,7,12-15H2,2H3,(H,24,25)
InChIKeyDVCGMJAEFTUMDT-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.59
Rot. Bonds7

About N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide

N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide (PubChem CID 44582900) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide
PubChem CID44582900
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C23H27NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h3-6,8-11,16,19-20H,1,7,12-15H2,2H3,(H,24,25)
InChIKeyDVCGMJAEFTUMDT-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide?
The IUPAC name of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide (CID 44582900) is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide is C=CCC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21.
What is the InChIKey of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide?
The InChIKey is DVCGMJAEFTUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-7-23(25)24-13-12-19-15-20(17-8-5-4-6-9-17)14-18-10-11-21(26-2)16-22(18)19/h3-6,8-11,16,19-20H,1,7,12-15H2,2H3,(H,24,25).
What are the key properties of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide?
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide has a molecular weight of 349.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]but-3-enamide is sourced from PubChem (CID 44582900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).