N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H21NO3 — CID 61233966

IUPACN,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(C1CCCc2ccccc21)N(CCO)CCO
InChIInChI=1S/C15H21NO3/c17-10-8-16(9-11-18)15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17-18H,3,5,7-11H2
InChIKeyJZYKUXFUNZJGBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 61233966) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID61233966
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(C1CCCc2ccccc21)N(CCO)CCO
InChIInChI=1S/C15H21NO3/c17-10-8-16(9-11-18)15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17-18H,3,5,7-11H2
InChIKeyJZYKUXFUNZJGBS-UHFFFAOYSA-N
XLogP0.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107491803
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 102873281
N-(5-bromopentyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107206241
N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63754765
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
N-piperidin-4-yl-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119825779
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 61233966) is N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(C1CCCc2ccccc21)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JZYKUXFUNZJGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-8-16(9-11-18)15(19)14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17-18H,3,5,7-11H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 61233966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).