4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide

C17H25N3O3 — CID 110309561

IUPAC4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCC(=O)NCCCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-13(21)18-11-4-12-19-16(22)10-7-14-5-8-15(9-6-14)17(23)20(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyWUDGXDVJBXHDGA-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.96
Rot. Bonds8

About 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide

4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110309561) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110309561
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCC(=O)NCCCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-13(21)18-11-4-12-19-16(22)10-7-14-5-8-15(9-6-14)17(23)20(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyWUDGXDVJBXHDGA-UHFFFAOYSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110617836
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide (CID 110309561) is 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide is CC(=O)NCCCNC(=O)CCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is WUDGXDVJBXHDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(21)18-11-4-12-19-16(22)10-7-14-5-8-15(9-6-14)17(23)20(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110309561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).