N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride

C14H23ClN2O4 — CID 119506932

IUPACN-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(OC)c(OC)cc1OC.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-5-15-6-7-16-14(17)10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyWOVRTQUURIHETD-UHFFFAOYSA-N
MW318.80 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride

N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride (PubChem CID 119506932) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
PubChem CID119506932
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC NameN-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(OC)c(OC)cc1OC.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-5-15-6-7-16-14(17)10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H
InChIKeyWOVRTQUURIHETD-UHFFFAOYSA-N
XLogP1.47
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride (CID 119506932) is N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride is CCNCCNC(=O)c1cc(OC)c(OC)cc1OC.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride?
The InChIKey is WOVRTQUURIHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4.ClH/c1-5-15-6-7-16-14(17)10-8-12(19-3)13(20-4)9-11(10)18-2;/h8-9,15H,5-7H2,1-4H3,(H,16,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119506932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).