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

C13H19N3O3 — CID 3387628

IUPACN-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
SMILESCN(C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-15(2)9-5-8-14-13(17)10-11-6-3-4-7-12(11)16(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,14,17)
InChIKeyNXHYIPVLKRFUHC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.21
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 3387628) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
PubChem CID3387628
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
SMILESCN(C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-15(2)9-5-8-14-13(17)10-11-6-3-4-7-12(11)16(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,14,17)
InChIKeyNXHYIPVLKRFUHC-UHFFFAOYSA-N
XLogP1.21
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
CID 41278296
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-chloro-N-[3-(dimethylamino)propyl]-3-nitrobenzamide
CID 19779109
N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
CID 71827851
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide (CID 3387628) is N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide is CN(C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is NXHYIPVLKRFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(2)9-5-8-14-13(17)10-11-6-3-4-7-12(11)16(18)19/h3-4,6-7H,5,8-10H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide?
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).