2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide

C12H17N3O3 — CID 61219970

IUPAC2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide
SMILESCC(NC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-8(14-12(2,3)11(13)16)9-4-6-10(7-5-9)15(17)18/h4-8,14H,1-3H3,(H2,13,16)
InChIKeyDRRKZWPQHFQSPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide

2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide (PubChem CID 61219970) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide
PubChem CID61219970
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide
SMILESCC(NC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-8(14-12(2,3)11(13)16)9-4-6-10(7-5-9)15(17)18/h4-8,14H,1-3H3,(H2,13,16)
InChIKeyDRRKZWPQHFQSPH-UHFFFAOYSA-N
XLogP1.51
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-2-[1-(4-nitrophenyl)ethylamino]propane-1,3-diol
CID 107850371
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
tert-butyl N-[(1S)-1-(4-nitrophenyl)ethyl]carbamate
CID 54477088
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
2-[1-(4-nitrophenyl)ethylamino]ethyl carbamate
CID 83210126
(3R)-3-amino-2,2-dimethyl-3-(4-nitrophenyl)propanoic acid
CID 177432789
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
N-[1-(4-nitrophenyl)ethyl]prop-2-yn-1-amine
CID 43297240
dimethyl 2-[1-(4-nitrophenyl)ethyl]propanedioate
CID 19027104
dimethyl 2-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioate
CID 11372009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide?
The IUPAC name of 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide (CID 61219970) is 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide is CC(NC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide?
The InChIKey is DRRKZWPQHFQSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(14-12(2,3)11(13)16)9-4-6-10(7-5-9)15(17)18/h4-8,14H,1-3H3,(H2,13,16).
What are the key properties of 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide?
2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 61219970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).