N-benzyl-N-[benzyl(methoxy)amino]nitramide

C15H17N3O3 — CID 91193975

IUPACN-benzyl-N-[benzyl(methoxy)amino]nitramide
SMILESCON(Cc1ccccc1)N(Cc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-21-17(13-15-10-6-3-7-11-15)16(18(19)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyVKCQLTWPMDYGLZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.66
Rot. Bonds7

About N-benzyl-N-[benzyl(methoxy)amino]nitramide

N-benzyl-N-[benzyl(methoxy)amino]nitramide (PubChem CID 91193975) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-benzyl-N-[benzyl(methoxy)amino]nitramide.

Molecular Properties

Compound NameN-benzyl-N-[benzyl(methoxy)amino]nitramide
PubChem CID91193975
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-benzyl-N-[benzyl(methoxy)amino]nitramide
SMILESCON(Cc1ccccc1)N(Cc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-21-17(13-15-10-6-3-7-11-15)16(18(19)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyVKCQLTWPMDYGLZ-UHFFFAOYSA-N
XLogP2.66
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
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

N-benzyl-N-methoxy-5-nitrofuran-2-amine
CID 174830147
N-[(3-methoxy-4-nitrophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 22046408
benzyl-[(3-methoxy-4-nitrophenyl)methyl]carbamic acid
CID 22046354
(Z)-[benzyl(methyl)amino]-methoxyimino-oxidoazanium
CID 10821680
N-benzyl-N-prop-2-ynylnitramide
CID 151317576
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dibenzyl-2-nitroethenamine
CID 67458261
(Z)-N,N-dibenzyl-2-nitroethenamine
CID 67458258
1-benzyl-1-methoxy-2-methylhydrazine
CID 57045483
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 118070261
N,N-dibenzyl-2-nitroacetamide
CID 108814407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[benzyl(methoxy)amino]nitramide?
The IUPAC name of N-benzyl-N-[benzyl(methoxy)amino]nitramide (CID 91193975) is N-benzyl-N-[benzyl(methoxy)amino]nitramide.
What is the SMILES notation for N-benzyl-N-[benzyl(methoxy)amino]nitramide?
The canonical SMILES for N-benzyl-N-[benzyl(methoxy)amino]nitramide is CON(Cc1ccccc1)N(Cc1ccccc1)[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-[benzyl(methoxy)amino]nitramide?
The InChIKey is VKCQLTWPMDYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-17(13-15-10-6-3-7-11-15)16(18(19)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3.
What are the key properties of N-benzyl-N-[benzyl(methoxy)amino]nitramide?
N-benzyl-N-[benzyl(methoxy)amino]nitramide has a molecular weight of 287.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[benzyl(methoxy)amino]nitramide is sourced from PubChem (CID 91193975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).