4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide

C16H25N3O2 — CID 110299989

IUPAC4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-18(2)12-11-17-15(20)10-7-13-5-8-14(9-6-13)16(21)19(3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,20)
InChIKeyXARGRRICBRCFIK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.00
Rot. Bonds7

About 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide

4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110299989) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110299989
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-18(2)12-11-17-15(20)10-7-13-5-8-14(9-6-13)16(21)19(3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,20)
InChIKeyXARGRRICBRCFIK-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110617836
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide (CID 110299989) is 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide is CN(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is XARGRRICBRCFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)12-11-17-15(20)10-7-13-5-8-14(9-6-13)16(21)19(3)4/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,20).
What are the key properties of 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110299989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).