N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide

C15H20N4O3 — CID 71827851

IUPACN-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1ccc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C15H20N4O3/c1-17(2)9-4-8-16-15(20)11-18-10-7-12-13(18)5-3-6-14(12)19(21)22/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,16,20)
InChIKeyXSIPDGJUBOXBLC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide (PubChem CID 71827851) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
PubChem CID71827851
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
SMILESCN(C)CCCNC(=O)Cn1ccc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C15H20N4O3/c1-17(2)9-4-8-16-15(20)11-18-10-7-12-13(18)5-3-6-14(12)19(21)22/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,16,20)
InChIKeyXSIPDGJUBOXBLC-UHFFFAOYSA-N
XLogP1.62
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-nitroindol-1-yl)propyl]acetamide
CID 75446448
2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71827821
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
N-(2-methylbutan-2-yl)-2-(4-nitroindol-1-yl)acetamide
CID 115635433
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
2-chloro-N-[3-(dimethylamino)propyl]-3-nitrobenzamide
CID 19779109
N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide
CID 75374008
N-[2-(dimethylamino)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 110839141
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929
1-(4-methylpentyl)-4-nitroindole
CID 116623453

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide (CID 71827851) is N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide is CN(C)CCCNC(=O)Cn1ccc2c([N+](=O)[O-])cccc21.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide?
The InChIKey is XSIPDGJUBOXBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-17(2)9-4-8-16-15(20)11-18-10-7-12-13(18)5-3-6-14(12)19(21)22/h3,5-7,10H,4,8-9,11H2,1-2H3,(H,16,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide is sourced from PubChem (CID 71827851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).