N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C20H24N2O3 — CID 10947808

IUPACN-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc(N)cc1)O2
InChIInChI=1S/C20H24N2O3/c1-11-12(2)18-16(13(3)17(11)23)9-10-20(4,25-18)19(24)22-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3,(H,22,24)
InChIKeyHGKMGILXLZAAGD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.62
Rot. Bonds2

About N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 10947808) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID10947808
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc(N)cc1)O2
InChIInChI=1S/C20H24N2O3/c1-11-12(2)18-16(13(3)17(11)23)9-10-20(4,25-18)19(24)22-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3,(H,22,24)
InChIKeyHGKMGILXLZAAGD-UHFFFAOYSA-N
XLogP3.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 10947808) is N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc(N)cc1)O2.
What is the InChIKey of N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is HGKMGILXLZAAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-11-12(2)18-16(13(3)17(11)23)9-10-20(4,25-18)19(24)22-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3,(H,22,24).
What are the key properties of N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 10947808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).