N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H19NO2 — CID 6710451

IUPACN-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H19NO2/c1-21-17-8-4-7-16(12-17)19-18(20)15-10-9-13-5-2-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyBFEQZSKXYDCLFO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds3

About N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 6710451) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID6710451
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H19NO2/c1-21-17-8-4-7-16(12-17)19-18(20)15-10-9-13-5-2-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyBFEQZSKXYDCLFO-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 N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 6710451) is N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BFEQZSKXYDCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-8-4-7-16(12-17)19-18(20)15-10-9-13-5-2-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-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 N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 6710451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).