2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide

C16H24N2O3 — CID 172503558

IUPAC2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccccc1C(C[N+](=O)[O-])NC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)12-8-6-7-9-13(12)14(10-18(20)21)17-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,17,19)
InChIKeyLQZFNMJZJPXKMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.29
Rot. Bonds5

About 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide

2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 172503558) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide
PubChem CID172503558
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccccc1C(C[N+](=O)[O-])NC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)12-8-6-7-9-13(12)14(10-18(20)21)17-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,17,19)
InChIKeyLQZFNMJZJPXKMU-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(1S)-1-(2-methylphenyl)-2-nitroethyl]acetamide
CID 134961228
tert-butyl N-[1-(2-fluorophenyl)-2-nitroethyl]carbamate
CID 174569642
methyl 4-nitro-3-(2-propan-2-ylphenyl)butanoate
CID 18383983
tert-butyl N-[(1S)-1-naphthalen-1-yl-2-nitroethyl]carbamate
CID 102432583
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
[(2R)-2-(2,2-dimethylpropanoyloxy)-3-nitropropyl] benzoate
CID 129364281
2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide
CID 10860357
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide (CID 172503558) is 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccccc1C(C[N+](=O)[O-])NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is LQZFNMJZJPXKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)12-8-6-7-9-13(12)14(10-18(20)21)17-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide?
2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 172503558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).