N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide

C14H21N3O3 — CID 69063860

IUPACN-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCN(C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/c1-15(2)9-4-10-16(3)14(18)11-12-5-7-13(8-6-12)17(19)20/h5-8H,4,9-11H2,1-3H3
InChIKeyUBVRLNBJVBWWID-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide

N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide (PubChem CID 69063860) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
PubChem CID69063860
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCN(C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/c1-15(2)9-4-10-16(3)14(18)11-12-5-7-13(8-6-12)17(19)20/h5-8H,4,9-11H2,1-3H3
InChIKeyUBVRLNBJVBWWID-UHFFFAOYSA-N
XLogP1.55
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.55
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

N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 46637977
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 43964858
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)acetamide
CID 43964861
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 122144255
potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
CID 9480592
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide (CID 69063860) is N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide is CN(C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The InChIKey is UBVRLNBJVBWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15(2)9-4-10-16(3)14(18)11-12-5-7-13(8-6-12)17(19)20/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide?
N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 69063860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).