2-amino-N-(3-butoxypropyl)-5-nitrobenzamide

C14H21N3O4 — CID 115597224

IUPAC2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
SMILESCCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H21N3O4/c1-2-3-8-21-9-4-7-16-14(18)12-10-11(17(19)20)5-6-13(12)15/h5-6,10H,2-4,7-9,15H2,1H3,(H,16,18)
InChIKeyOGWZEYWYWVIEIX-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.11
Rot. Bonds9

About 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide

2-amino-N-(3-butoxypropyl)-5-nitrobenzamide (PubChem CID 115597224) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
PubChem CID115597224
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
SMILESCCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H21N3O4/c1-2-3-8-21-9-4-7-16-14(18)12-10-11(17(19)20)5-6-13(12)15/h5-6,10H,2-4,7-9,15H2,1H3,(H,16,18)
InChIKeyOGWZEYWYWVIEIX-UHFFFAOYSA-N
XLogP2.11
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
CID 82941980
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-(butylcarbamoyl)-5-nitrobenzoic acid
CID 110839262
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
5-amino-N-(2-butoxyethyl)-2-nitrobenzamide
CID 62186340
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide (CID 115597224) is 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide is CCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide?
The InChIKey is OGWZEYWYWVIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-3-8-21-9-4-7-16-14(18)12-10-11(17(19)20)5-6-13(12)15/h5-6,10H,2-4,7-9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide?
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxypropyl)-5-nitrobenzamide is sourced from PubChem (CID 115597224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).