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

C13H15N3O3 — CID 75446448

IUPACN-[3-(4-nitroindol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1ccc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C13H15N3O3/c1-10(17)14-7-3-8-15-9-6-11-12(15)4-2-5-13(11)16(18)19/h2,4-6,9H,3,7-8H2,1H3,(H,14,17)
InChIKeyGXMNXSLWKJAPCK-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.08
Rot. Bonds5

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

N-[3-(4-nitroindol-1-yl)propyl]acetamide (PubChem CID 75446448) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-(4-nitroindol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-nitroindol-1-yl)propyl]acetamide
PubChem CID75446448
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[3-(4-nitroindol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1ccc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C13H15N3O3/c1-10(17)14-7-3-8-15-9-6-11-12(15)4-2-5-13(11)16(18)19/h2,4-6,9H,3,7-8H2,1H3,(H,14,17)
InChIKeyGXMNXSLWKJAPCK-UHFFFAOYSA-N
XLogP2.08
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.08
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

1-(4-methylpentyl)-4-nitroindole
CID 116623453
N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
CID 71827851
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
N-(2-methylbutan-2-yl)-2-(4-nitroindol-1-yl)acetamide
CID 115635433
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
1-[(2,6-dimethylphenyl)methyl]-4-nitroindole
CID 115651038
2-amino-3-(4-nitroindol-1-yl)propanoic acid
CID 65442436
4-nitro-1-(2-phenylsulfanylethyl)indole
CID 116623422
4-nitro-1-(2-phenoxyethyl)indole
CID 115635424
ethane;1-methyl-4-nitroindole
CID 143310904
2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71827821
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-nitroindol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-nitroindol-1-yl)propyl]acetamide (CID 75446448) is N-[3-(4-nitroindol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-nitroindol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-nitroindol-1-yl)propyl]acetamide is CC(=O)NCCCn1ccc2c([N+](=O)[O-])cccc21.
What is the InChIKey of N-[3-(4-nitroindol-1-yl)propyl]acetamide?
The InChIKey is GXMNXSLWKJAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-10(17)14-7-3-8-15-9-6-11-12(15)4-2-5-13(11)16(18)19/h2,4-6,9H,3,7-8H2,1H3,(H,14,17).
What are the key properties of N-[3-(4-nitroindol-1-yl)propyl]acetamide?
N-[3-(4-nitroindol-1-yl)propyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-nitroindol-1-yl)propyl]acetamide is sourced from PubChem (CID 75446448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).