2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C18H19NO2 — CID 147285912

IUPAC2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C18H19NO2/c1-21-16-12-11-13-7-5-6-10-15(13)17(16)18(20)19-14-8-3-2-4-9-14/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,19,20)
InChIKeyCTFNSXUKLABLHP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds3

About 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 147285912) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID147285912
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C18H19NO2/c1-21-16-12-11-13-7-5-6-10-15(13)17(16)18(20)19-14-8-3-2-4-9-14/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,19,20)
InChIKeyCTFNSXUKLABLHP-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 147285912) is 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is COc1ccc2c(c1C(=O)Nc1ccccc1)CCCC2.
What is the InChIKey of 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is CTFNSXUKLABLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-16-12-11-13-7-5-6-10-15(13)17(16)18(20)19-14-8-3-2-4-9-14/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 147285912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).