(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide

C19H22N4O6 — CID 145295180

IUPAC(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide
SMILESCOc1ccccc1NC(=O)C(C)C(C)=O.[H]/N=N/c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H15NO3.C7H7N3O3/c1-8(9(2)14)12(15)13-10-6-4-5-7-11(10)16-3;1-13-7-4-5(10(11)12)2-3-6(7)9-8/h4-8H,1-3H3,(H,13,15);2-4,8H,1H3/b;9-8+
InChIKeyGTDQXVFCVWTCFD-RJDPJKJLSA-N
MW402.41 g/mol
LogP4.12
Rot. Bonds7

About (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide

(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide (PubChem CID 145295180) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide.

Molecular Properties

Compound Name(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide
PubChem CID145295180
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide
SMILESCOc1ccccc1NC(=O)C(C)C(C)=O.[H]/N=N/c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H15NO3.C7H7N3O3/c1-8(9(2)14)12(15)13-10-6-4-5-7-11(10)16-3;1-13-7-4-5(10(11)12)2-3-6(7)9-8/h4-8H,1-3H3,(H,13,15);2-4,8H,1H3/b;9-8+
InChIKeyGTDQXVFCVWTCFD-RJDPJKJLSA-N
XLogP4.12
TPSA143.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
2-[(2-methoxyphenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16776347
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7504367
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
2-[(2-methoxy-4-methylphenyl)diazenyl]-N-[4-[[2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
CID 54209235
[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] benzoate
CID 17425338

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide?
The IUPAC name of (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide (CID 145295180) is (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide.
What is the SMILES notation for (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide?
The canonical SMILES for (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide is COc1ccccc1NC(=O)C(C)C(C)=O.[H]/N=N/c1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide?
The InChIKey is GTDQXVFCVWTCFD-RJDPJKJLSA-N. The full InChI is InChI=1S/C12H15NO3.C7H7N3O3/c1-8(9(2)14)12(15)13-10-6-4-5-7-11(10)16-3;1-13-7-4-5(10(11)12)2-3-6(7)9-8/h4-8H,1-3H3,(H,13,15);2-4,8H,1H3/b;9-8+.
What are the key properties of (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide?
(2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide has a molecular weight of 402.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-nitrophenyl)diazene;N-(2-methoxyphenyl)-2-methyl-3-oxobutanamide is sourced from PubChem (CID 145295180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).