N-[4-oxo-4-(propylamino)butyl]benzamide

C14H20N2O2 — CID 78795088

IUPACN-[4-oxo-4-(propylamino)butyl]benzamide
SMILESCCCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-10-15-13(17)9-6-11-16-14(18)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyFSZLGGJLOJEJSN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds7

About N-[4-oxo-4-(propylamino)butyl]benzamide

N-[4-oxo-4-(propylamino)butyl]benzamide (PubChem CID 78795088) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-oxo-4-(propylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(propylamino)butyl]benzamide
PubChem CID78795088
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-oxo-4-(propylamino)butyl]benzamide
SMILESCCCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-10-15-13(17)9-6-11-16-14(18)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyFSZLGGJLOJEJSN-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
N-(4-oxopentyl)benzamide
CID 10798281
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(propylamino)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(propylamino)butyl]benzamide (CID 78795088) is N-[4-oxo-4-(propylamino)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(propylamino)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(propylamino)butyl]benzamide is CCCNC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-(propylamino)butyl]benzamide?
The InChIKey is FSZLGGJLOJEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-15-13(17)9-6-11-16-14(18)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-oxo-4-(propylamino)butyl]benzamide?
N-[4-oxo-4-(propylamino)butyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(propylamino)butyl]benzamide is sourced from PubChem (CID 78795088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).