N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide

C16H16N4O5 — CID 11210099

IUPACN'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])c(/N=C/N(C)C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N4O5/c1-18(2)10-17-16-14(19(21)22)8-12(9-15(16)20(23)24)11-4-6-13(25-3)7-5-11/h4-10H,1-3H3/b17-10+
InChIKeyZYMYMPLTWFUPAM-LICLKQGHSA-N
MW344.33 g/mol
LogP3.40
Rot. Bonds6

About N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide

N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide (PubChem CID 11210099) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide
PubChem CID11210099
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])c(/N=C/N(C)C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N4O5/c1-18(2)10-17-16-14(19(21)22)8-12(9-15(16)20(23)24)11-4-6-13(25-3)7-5-11/h4-10H,1-3H3/b17-10+
InChIKeyZYMYMPLTWFUPAM-LICLKQGHSA-N
XLogP3.40
TPSA111.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

methyl 3-(dimethylaminomethylideneamino)-4-(4-methoxyphenyl)thiophene-2-carboxylate
CID 75466311
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
CID 177352466
N,N'-bis(4-methoxyphenyl)-N-(2,4,6-trinitrophenyl)methanimidamide
CID 4779477
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
2,5-bis(4-methoxyphenyl)-1-methyl-3-nitropyrrole
CID 10640739
1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone
CID 118713066
N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
CID 166539493

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide (CID 11210099) is N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide is COc1ccc(-c2cc([N+](=O)[O-])c(/N=C/N(C)C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZYMYMPLTWFUPAM-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-18(2)10-17-16-14(19(21)22)8-12(9-15(16)20(23)24)11-4-6-13(25-3)7-5-11/h4-10H,1-3H3/b17-10+.
What are the key properties of N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide?
N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide has a molecular weight of 344.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methoxyphenyl)-2,6-dinitrophenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 11210099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).