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

C20H22N2O5 — CID 142533552

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccccc1[N+](=O)[O-])O2
InChIInChI=1S/C20H22N2O5/c1-11-12(2)18-14(13(3)17(11)23)9-10-20(4,27-18)19(24)21-15-7-5-6-8-16(15)22(25)26/h5-8,23H,9-10H2,1-4H3,(H,21,24)
InChIKeyPPZWFWVXJZIULP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.95
Rot. Bonds3

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

6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 142533552) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide
PubChem CID142533552
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccccc1[N+](=O)[O-])O2
InChIInChI=1S/C20H22N2O5/c1-11-12(2)18-14(13(3)17(11)23)9-10-20(4,27-18)19(24)21-15-7-5-6-8-16(15)22(25)26/h5-8,23H,9-10H2,1-4H3,(H,21,24)
InChIKeyPPZWFWVXJZIULP-UHFFFAOYSA-N
XLogP3.95
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 4905308
(1R,4S)-4,7,7-trimethyl-N-(2-nitrophenyl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 7082104
N-(3-hydroxy-2-methyl-4-nitrophenyl)-2-methyloxirane-2-carboxamide
CID 154431813
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 138027758
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525
6-hydroxy-N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723427
2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
CID 43004765
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
CID 65242627
6-hydroxy-2,5,7,8-tetramethyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 20775272
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide (CID 142533552) is 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccccc1[N+](=O)[O-])O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide?
The InChIKey is PPZWFWVXJZIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-11-12(2)18-14(13(3)17(11)23)9-10-20(4,27-18)19(24)21-15-7-5-6-8-16(15)22(25)26/h5-8,23H,9-10H2,1-4H3,(H,21,24).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-nitrophenyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 142533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).