N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide

C13H20N2O3 — CID 55100526

IUPACN-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-14-7-8-15-13(16)10-5-6-11(17-2)12(9-10)18-3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyXGBMQFQPGZOIGR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide

N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide (PubChem CID 55100526) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
PubChem CID55100526
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-14-7-8-15-13(16)10-5-6-11(17-2)12(9-10)18-3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyXGBMQFQPGZOIGR-UHFFFAOYSA-N
XLogP1.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide (CID 55100526) is N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide is CCNCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is XGBMQFQPGZOIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-14-7-8-15-13(16)10-5-6-11(17-2)12(9-10)18-3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide?
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55100526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).