4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride

C14H22ClN3O4 — CID 119505376

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-3-16-6-7-17-14(19)10-4-5-11(12(8-10)20-2)21-9-13(15)18;/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19);1H
InChIKeyMSVMAGKSOCAWDG-UHFFFAOYSA-N
MW331.80 g/mol
LogP0.32
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride

4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride (PubChem CID 119505376) has the molecular formula C14H22ClN3O4 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
PubChem CID119505376
Molecular FormulaC14H22ClN3O4
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-3-16-6-7-17-14(19)10-4-5-11(12(8-10)20-2)21-9-13(15)18;/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19);1H
InChIKeyMSVMAGKSOCAWDG-UHFFFAOYSA-N
XLogP0.32
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride (CID 119505376) is 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride is CCNCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride?
The InChIKey is MSVMAGKSOCAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.ClH/c1-3-16-6-7-17-14(19)10-4-5-11(12(8-10)20-2)21-9-13(15)18;/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,18)(H,17,19);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119505376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).