N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H19NO — CID 42946726

IUPACN-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCc2ccccc21
InChIInChI=1S/C21H19NO/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,6-8,10-12,14,19H,5,9,13H2,(H,22,23)
InChIKeyVMNKRDJLXBMNCP-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.90
Rot. Bonds2

About N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 42946726) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID42946726
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCc2ccccc21
InChIInChI=1S/C21H19NO/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,6-8,10-12,14,19H,5,9,13H2,(H,22,23)
InChIKeyVMNKRDJLXBMNCP-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48735822
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55673060
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 42946726) is N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1cccc2ccccc12)C1CCCc2ccccc21.
What is the InChIKey of N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VMNKRDJLXBMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22-20-14-6-10-16-8-2-4-12-18(16)20/h1-4,6-8,10-12,14,19H,5,9,13H2,(H,22,23).
What are the key properties of N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 42946726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).