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

C22H25NO2 — CID 44582899

IUPACN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C22H25NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h3-10,15,18-19H,1,11-14H2,2H3,(H,23,24)
InChIKeyIWXZDJPJSBPQPA-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.20
Rot. Bonds6

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

N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide (PubChem CID 44582899) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide
PubChem CID44582899
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21
InChIInChI=1S/C22H25NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h3-10,15,18-19H,1,11-14H2,2H3,(H,23,24)
InChIKeyIWXZDJPJSBPQPA-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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]prop-2-enamide?
The IUPAC name of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide (CID 44582899) is N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide is C=CC(=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]prop-2-enamide?
The InChIKey is IWXZDJPJSBPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-22(24)23-12-11-18-14-19(16-7-5-4-6-8-16)13-17-9-10-20(25-2)15-21(17)18/h3-10,15,18-19H,1,11-14H2,2H3,(H,23,24).
What are the key properties of N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide?
N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]prop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.20, 6 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]prop-2-enamide is sourced from PubChem (CID 44582899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).