N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H25NO — CID 84533264

IUPACN-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO/c1-16-6-4-7-17(14-16)8-5-13-22-21(23)20-12-11-18-9-2-3-10-19(18)15-20/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3,(H,22,23)
InChIKeyWMNIZVLDDRMQSS-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.24
Rot. Bonds5

About N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 84533264) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID84533264
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO/c1-16-6-4-7-17(14-16)8-5-13-22-21(23)20-12-11-18-9-2-3-10-19(18)15-20/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3,(H,22,23)
InChIKeyWMNIZVLDDRMQSS-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
3-[8-(3-methylphenyl)octyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58151344
3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
CID 84533270
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
CID 100585287
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
CID 92682960

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 84533264) is N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WMNIZVLDDRMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-16-6-4-7-17(14-16)8-5-13-22-21(23)20-12-11-18-9-2-3-10-19(18)15-20/h4,6-7,11-12,14-15H,2-3,5,8-10,13H2,1H3,(H,22,23).
What are the key properties of N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 84533264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).