N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide

C17H28N2O4 — CID 756601

IUPACN-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCCN(C)C)cc(OCC)c1OCC
InChIInChI=1S/C17H28N2O4/c1-6-21-14-11-13(17(20)18-9-10-19(4)5)12-15(22-7-2)16(14)23-8-3/h11-12H,6-10H2,1-5H3,(H,18,20)
InChIKeyRBZPFHODVKADAQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.17
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide

N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide (PubChem CID 756601) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
PubChem CID756601
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCCN(C)C)cc(OCC)c1OCC
InChIInChI=1S/C17H28N2O4/c1-6-21-14-11-13(17(20)18-9-10-19(4)5)12-15(22-7-2)16(14)23-8-3/h11-12H,6-10H2,1-5H3,(H,18,20)
InChIKeyRBZPFHODVKADAQ-UHFFFAOYSA-N
XLogP2.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,4,5-tridodecoxybenzamide
CID 102351559
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 3593898
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3,4,5-triethoxy-N-[2-(furan-3-yl)ethyl]benzamide
CID 90558366
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-[4-(4-chlorophenoxy)butyl]-3,4,5-triethoxybenzamide
CID 16571870
[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108926915
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium
CID 2216664

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide (CID 756601) is N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCCN(C)C)cc(OCC)c1OCC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide?
The InChIKey is RBZPFHODVKADAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-6-21-14-11-13(17(20)18-9-10-19(4)5)12-15(22-7-2)16(14)23-8-3/h11-12H,6-10H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide?
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide has a molecular weight of 324.42 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 756601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).