N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C23H30N2O2 — CID 11417261

IUPACN-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1cccc2c1CC(C(=O)Nc1ccc(N(CC)CC)cc1)CC2
InChIInChI=1S/C23H30N2O2/c1-4-25(5-2)20-14-12-19(13-15-20)24-23(26)18-11-10-17-8-7-9-22(27-6-3)21(17)16-18/h7-9,12-15,18H,4-6,10-11,16H2,1-3H3,(H,24,26)
InChIKeyIUQFOAKXUIXWAC-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.68
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 11417261) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID11417261
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1cccc2c1CC(C(=O)Nc1ccc(N(CC)CC)cc1)CC2
InChIInChI=1S/C23H30N2O2/c1-4-25(5-2)20-14-12-19(13-15-20)24-23(26)18-11-10-17-8-7-9-22(27-6-3)21(17)16-18/h7-9,12-15,18H,4-6,10-11,16H2,1-3H3,(H,24,26)
InChIKeyIUQFOAKXUIXWAC-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 11417261) is N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCOc1cccc2c1CC(C(=O)Nc1ccc(N(CC)CC)cc1)CC2.
What is the InChIKey of N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IUQFOAKXUIXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-25(5-2)20-14-12-19(13-15-20)24-23(26)18-11-10-17-8-7-9-22(27-6-3)21(17)16-18/h7-9,12-15,18H,4-6,10-11,16H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-8-ethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 11417261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).