N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide

C15H15N3O4 — CID 135083407

IUPACN-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide
SMILESCC(C)N(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-11(2)16(18(21)22)14-7-3-12(4-8-14)13-5-9-15(10-6-13)17(19)20/h3-11H,1-2H3
InChIKeyGKVVAONXBDVYAJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide

N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide (PubChem CID 135083407) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide
PubChem CID135083407
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide
SMILESCC(C)N(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-11(2)16(18(21)22)14-7-3-12(4-8-14)13-5-9-15(10-6-13)17(19)20/h3-11H,1-2H3
InChIKeyGKVVAONXBDVYAJ-UHFFFAOYSA-N
XLogP3.67
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.67
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-(2-methylpropyl)-N-[4-(4-nitrophenyl)phenyl]nitramide
CID 135083410
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
CID 59757686
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
(Z)-[N-(1-carboxyethyl)-4-nitroanilino]-hydroxyimino-oxidoazanium
CID 135446131
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
2-(dimethylamino)-2-(4-nitro-N-propan-2-ylanilino)acetaldehyde
CID 174458787
trimethyl-(4-nitrophenyl)sulfonylphosphanium
CID 155358476
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
CID 23507202
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide?
The IUPAC name of N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide (CID 135083407) is N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide.
What is the SMILES notation for N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide?
The canonical SMILES for N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide is CC(C)N(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[N+](=O)[O-].
What is the InChIKey of N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide?
The InChIKey is GKVVAONXBDVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-11(2)16(18(21)22)14-7-3-12(4-8-14)13-5-9-15(10-6-13)17(19)20/h3-11H,1-2H3.
What are the key properties of N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide?
N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide has a molecular weight of 301.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide is sourced from PubChem (CID 135083407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).