N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H28N2O — CID 60566059

IUPACN-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(CCCCNC(=O)C1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-24(19-12-3-2-4-13-19)17-8-7-16-23-22(25)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,10,12-14,21H,7-9,11,15-17H2,1H3,(H,23,25)
InChIKeyZBVKSHOZWGZXJZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 60566059) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID60566059
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(CCCCNC(=O)C1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-24(19-12-3-2-4-13-19)17-8-7-16-23-22(25)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,10,12-14,21H,7-9,11,15-17H2,1H3,(H,23,25)
InChIKeyZBVKSHOZWGZXJZ-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.14
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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Related Compounds

N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
N-(5-bromopentyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107206241
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 73419587
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 60566059) is N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(CCCCNC(=O)C1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZBVKSHOZWGZXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-24(19-12-3-2-4-13-19)17-8-7-16-23-22(25)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,10,12-14,21H,7-9,11,15-17H2,1H3,(H,23,25).
What are the key properties of N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 60566059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).