2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide

C13H19N3O3 — CID 23507202

IUPAC2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-10(2)15(13(17)9-14(3)4)11-5-7-12(8-6-11)16(18)19/h5-8,10H,9H2,1-4H3
InChIKeyDFCXHBLKYOPSRA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.90
Rot. Bonds5

About 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide

2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide (PubChem CID 23507202) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
PubChem CID23507202
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-10(2)15(13(17)9-14(3)4)11-5-7-12(8-6-11)16(18)19/h5-8,10H,9H2,1-4H3
InChIKeyDFCXHBLKYOPSRA-UHFFFAOYSA-N
XLogP1.90
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
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

methyl 2-(4-nitro-N-propan-2-ylanilino)acetate
CID 62006673
N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide
CID 121221118
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8590828
2-(hydroxymethyl)-N-(4-hydroxyphenyl)-5-(4-nitrophenyl)-N-propan-2-ylpentanamide
CID 155297282
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
(2S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 61148819
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-4-nitrobenzoate
CID 7149018
(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide
CID 122173506
(2S,3S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)pentanamide
CID 61148730
(N-ethyl-4-nitroanilino)methanol
CID 19938996
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide (CID 23507202) is 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide?
The InChIKey is DFCXHBLKYOPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(2)15(13(17)9-14(3)4)11-5-7-12(8-6-11)16(18)19/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide?
2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 23507202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).