4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide

C14H20N4O4 — CID 2907080

IUPAC4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O4/c15-14(19)11-2-3-12(13(10-11)18(20)21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H2,15,19)
InChIKeyOXHTUGYXHLRGMN-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.83
Rot. Bonds7

About 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide

4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide (PubChem CID 2907080) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide
PubChem CID2907080
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide
SMILESNC(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O4/c15-14(19)11-2-3-12(13(10-11)18(20)21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H2,15,19)
InChIKeyOXHTUGYXHLRGMN-UHFFFAOYSA-N
XLogP0.83
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide (CID 2907080) is 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide is NC(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide?
The InChIKey is OXHTUGYXHLRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c15-14(19)11-2-3-12(13(10-11)18(20)21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H2,15,19).
What are the key properties of 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide?
4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide has a molecular weight of 308.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)-3-nitrobenzamide is sourced from PubChem (CID 2907080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).