N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide

C14H22N2O3 — CID 102978865

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(9-5-8-15(2)3)14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,4-5,8-9H2,1-3H3
InChIKeyWGUVLEIGFXMDAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide

N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide (PubChem CID 102978865) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide
PubChem CID102978865
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-4-16(9-5-8-15(2)3)14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,4-5,8-9H2,1-3H3
InChIKeyWGUVLEIGFXMDAN-UHFFFAOYSA-N
XLogP1.51
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
N-[3-(dimethylamino)propyl]-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 102996750
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide (CID 102978865) is N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide is CCN(CCCN(C)C)C(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide?
The InChIKey is WGUVLEIGFXMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16(9-5-8-15(2)3)14(19)11-6-7-12(17)13(18)10-11/h6-7,10,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide?
N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide is sourced from PubChem (CID 102978865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).