N-(3-methoxyanilino)nitramide

C7H9N3O3 — CID 175005472

IUPACN-(3-methoxyanilino)nitramide
SMILESCOc1cccc(NN[N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O3/c1-13-7-4-2-3-6(5-7)8-9-10(11)12/h2-5,8-9H,1H3
InChIKeyHWZPTNFSGUSAFB-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.80
Rot. Bonds4

About N-(3-methoxyanilino)nitramide

N-(3-methoxyanilino)nitramide (PubChem CID 175005472) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(3-methoxyanilino)nitramide.

Molecular Properties

Compound NameN-(3-methoxyanilino)nitramide
PubChem CID175005472
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(3-methoxyanilino)nitramide
SMILESCOc1cccc(NN[N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O3/c1-13-7-4-2-3-6(5-7)8-9-10(11)12/h2-5,8-9H,1H3
InChIKeyHWZPTNFSGUSAFB-UHFFFAOYSA-N
XLogP0.80
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
1-methoxy-2-(3-methoxyphenyl)hydrazine;phosphoric acid
CID 174886851
N-(3-methoxyphenyl)thiohydroxylamine
CID 88816374
3-methoxy-N-[1-(3-nitrophenyl)propyl]aniline
CID 43133301
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
(4-nitrophenyl) N-(3-methoxyphenyl)sulfamate
CID 86189004
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-[(3-bromo-5-nitrophenyl)methyl]-3-methoxyaniline
CID 103350517

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyanilino)nitramide?
The IUPAC name of N-(3-methoxyanilino)nitramide (CID 175005472) is N-(3-methoxyanilino)nitramide.
What is the SMILES notation for N-(3-methoxyanilino)nitramide?
The canonical SMILES for N-(3-methoxyanilino)nitramide is COc1cccc(NN[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methoxyanilino)nitramide?
The InChIKey is HWZPTNFSGUSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-7-4-2-3-6(5-7)8-9-10(11)12/h2-5,8-9H,1H3.
What are the key properties of N-(3-methoxyanilino)nitramide?
N-(3-methoxyanilino)nitramide has a molecular weight of 183.17 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyanilino)nitramide is sourced from PubChem (CID 175005472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).