N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide

C12H17N3O4 — CID 110000865

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
SMILESCC(C)(CO)NC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-12(2,8-16)14-11(17)7-13-9-5-3-4-6-10(9)15(18)19/h3-6,13,16H,7-8H2,1-2H3,(H,14,17)
InChIKeyFVZQSCDPNNAXRK-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.89
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide (PubChem CID 110000865) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
PubChem CID110000865
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
SMILESCC(C)(CO)NC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-12(2,8-16)14-11(17)7-13-9-5-3-4-6-10(9)15(18)19/h3-6,13,16H,7-8H2,1-2H3,(H,14,17)
InChIKeyFVZQSCDPNNAXRK-UHFFFAOYSA-N
XLogP0.89
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
CID 120826811
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
CID 111520261
propyl 2-(2-nitroanilino)acetate
CID 175410298
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
CID 119655425
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(2-nitroanilino)acetamide
CID 102554767

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide (CID 110000865) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide is CC(C)(CO)NC(=O)CNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide?
The InChIKey is FVZQSCDPNNAXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,8-16)14-11(17)7-13-9-5-3-4-6-10(9)15(18)19/h3-6,13,16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide has a molecular weight of 267.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 110000865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).