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

C19H30N2O2 — CID 110617836

IUPAC4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCCC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)13-6-14-20-17(22)12-9-15-7-10-16(11-8-15)18(23)21(4)5/h7-8,10-11H,6,9,12-14H2,1-5H3,(H,20,22)
InChIKeyJXLLWUAAPMSKCP-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.26
Rot. Bonds7

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

4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110617836) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110617836
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCCC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)13-6-14-20-17(22)12-9-15-7-10-16(11-8-15)18(23)21(4)5/h7-8,10-11H,6,9,12-14H2,1-5H3,(H,20,22)
InChIKeyJXLLWUAAPMSKCP-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
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
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide (CID 110617836) is 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CCC(=O)NCCCC(C)(C)C)cc1.
What is the InChIKey of 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is JXLLWUAAPMSKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)13-6-14-20-17(22)12-9-15-7-10-16(11-8-15)18(23)21(4)5/h7-8,10-11H,6,9,12-14H2,1-5H3,(H,20,22).
What are the key properties of 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110617836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).