N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide

C22H27NO2 — CID 42629716

IUPACN-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)C(CCCNC(C)=O)CC(c1ccccc1)C2
InChIInChI=1S/C22H27NO2/c1-16(24)23-12-6-9-18-13-20(17-7-4-3-5-8-17)14-19-10-11-21(25-2)15-22(18)19/h3-5,7-8,10-11,15,18,20H,6,9,12-14H2,1-2H3,(H,23,24)
InChIKeyFWVARDNKSPQOSJ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.43
Rot. Bonds6

About N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide

N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide (PubChem CID 42629716) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide
PubChem CID42629716
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)C(CCCNC(C)=O)CC(c1ccccc1)C2
InChIInChI=1S/C22H27NO2/c1-16(24)23-12-6-9-18-13-20(17-7-4-3-5-8-17)14-19-10-11-21(25-2)15-22(18)19/h3-5,7-8,10-11,15,18,20H,6,9,12-14H2,1-2H3,(H,23,24)
InChIKeyFWVARDNKSPQOSJ-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide (CID 42629716) is N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide is COc1ccc2c(c1)C(CCCNC(C)=O)CC(c1ccccc1)C2.
What is the InChIKey of N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide?
The InChIKey is FWVARDNKSPQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(24)23-12-6-9-18-13-20(17-7-4-3-5-8-17)14-19-10-11-21(25-2)15-22(18)19/h3-5,7-8,10-11,15,18,20H,6,9,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide?
N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]acetamide is sourced from PubChem (CID 42629716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).