N-[2,4-di(propan-2-yl)phenyl]nitramide

C12H18N2O2 — CID 163905282

IUPACN-[2,4-di(propan-2-yl)phenyl]nitramide
SMILESCC(C)c1ccc(N[N+](=O)[O-])c(C(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)10-5-6-12(13-14(15)16)11(7-10)9(3)4/h5-9,13H,1-4H3
InChIKeyQNJPVHUUQPIKPS-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.54
Rot. Bonds4

About N-[2,4-di(propan-2-yl)phenyl]nitramide

N-[2,4-di(propan-2-yl)phenyl]nitramide (PubChem CID 163905282) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yl)phenyl]nitramide.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yl)phenyl]nitramide
PubChem CID163905282
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2,4-di(propan-2-yl)phenyl]nitramide
SMILESCC(C)c1ccc(N[N+](=O)[O-])c(C(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)10-5-6-12(13-14(15)16)11(7-10)9(3)4/h5-9,13H,1-4H3
InChIKeyQNJPVHUUQPIKPS-UHFFFAOYSA-N
XLogP3.54
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yl)phenyl]nitramide?
The IUPAC name of N-[2,4-di(propan-2-yl)phenyl]nitramide (CID 163905282) is N-[2,4-di(propan-2-yl)phenyl]nitramide.
What is the SMILES notation for N-[2,4-di(propan-2-yl)phenyl]nitramide?
The canonical SMILES for N-[2,4-di(propan-2-yl)phenyl]nitramide is CC(C)c1ccc(N[N+](=O)[O-])c(C(C)C)c1.
What is the InChIKey of N-[2,4-di(propan-2-yl)phenyl]nitramide?
The InChIKey is QNJPVHUUQPIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)10-5-6-12(13-14(15)16)11(7-10)9(3)4/h5-9,13H,1-4H3.
What are the key properties of N-[2,4-di(propan-2-yl)phenyl]nitramide?
N-[2,4-di(propan-2-yl)phenyl]nitramide has a molecular weight of 222.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yl)phenyl]nitramide is sourced from PubChem (CID 163905282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).