N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide

C24H35ClN2O3 — CID 102440670

IUPACN-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NCCOCCOCCCCCCCCl)ccc2c1
InChIInChI=1S/C24H35ClN2O3/c1-27(2)23-11-10-20-18-22(9-8-21(20)19-23)24(28)26-13-15-30-17-16-29-14-7-5-3-4-6-12-25/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,26,28)
InChIKeyIQOYLETWUFHYDZ-UHFFFAOYSA-N
MW435.01 g/mol
LogP4.86
Rot. Bonds15

About N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide

N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide (PubChem CID 102440670) has the molecular formula C24H35ClN2O3 and a molecular weight of 435.01 g/mol. Its IUPAC name is N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide
PubChem CID102440670
Molecular FormulaC24H35ClN2O3
Molecular Weight435.01 g/mol
Exact Mass434.23
IUPAC NameN-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NCCOCCOCCCCCCCCl)ccc2c1
InChIInChI=1S/C24H35ClN2O3/c1-27(2)23-11-10-20-18-22(9-8-21(20)19-23)24(28)26-13-15-30-17-16-29-14-7-5-3-4-6-12-25/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,26,28)
InChIKeyIQOYLETWUFHYDZ-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2',7'-bis(dimethylamino)-9',9'-dimethyl-1-oxospiro[2-benzofuran-3,10'-anthracene]-5-carboxamide
CID 139208903
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
[10-[2-carboxy-5-[2-[2-(5-chloropentoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
CID 71510224
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2'-cyano-2-[7-(diethylamino)-2-oxochromen-3-yl]-7-(dimethylamino)-1'-oxospiro[chromene-4,3'-isoindole]-5'-carboxamide
CID 146671831
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide
CID 170368379
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
2-[3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl]-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]acetamide
CID 135278090
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CID 171721139
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3',6'-bis(diethylamino)-2-(dimethylsulfamoyl)-1-oxospiro[isoindole-3,9'-xanthene]-5-carboxamide
CID 146671491
3',6'-bis(azetidin-1-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-imino-1-oxospiro[indene-3,9'-xanthene]-5-carboxamide;methanol
CID 167447868
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The IUPAC name of N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide (CID 102440670) is N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide is CN(C)c1ccc2cc(C(=O)NCCOCCOCCCCCCCCl)ccc2c1.
What is the InChIKey of N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The InChIKey is IQOYLETWUFHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O3/c1-27(2)23-11-10-20-18-22(9-8-21(20)19-23)24(28)26-13-15-30-17-16-29-14-7-5-3-4-6-12-25/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,26,28).
What are the key properties of N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide?
N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide has a molecular weight of 435.01 g/mol, XLogP of 4.86, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 102440670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).