N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C18H27NO4 — CID 91302807

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1cc(C)c2c(c1C)OC(C)(C(=O)NCCOCCO)CC2
InChIInChI=1S/C18H27NO4/c1-12-11-13(2)15-5-6-18(4,23-16(15)14(12)3)17(21)19-7-9-22-10-8-20/h11,20H,5-10H2,1-4H3,(H,19,21)
InChIKeyXHAJLHZGFLPZOD-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 91302807) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID91302807
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1cc(C)c2c(c1C)OC(C)(C(=O)NCCOCCO)CC2
InChIInChI=1S/C18H27NO4/c1-12-11-13(2)15-5-6-18(4,23-16(15)14(12)3)17(21)19-7-9-22-10-8-20/h11,20H,5-10H2,1-4H3,(H,19,21)
InChIKeyXHAJLHZGFLPZOD-UHFFFAOYSA-N
XLogP1.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 91302807) is N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1cc(C)c2c(c1C)OC(C)(C(=O)NCCOCCO)CC2.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is XHAJLHZGFLPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12-11-13(2)15-5-6-18(4,23-16(15)14(12)3)17(21)19-7-9-22-10-8-20/h11,20H,5-10H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 91302807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).