3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride

C18H25Cl2N3O — CID 119831786

IUPAC3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
SMILESCCN(CCNC(=O)c1cccc(N)c1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-21(17-9-4-6-14(2)12-17)11-10-20-18(22)15-7-5-8-16(19)13-15;;/h4-9,12-13H,3,10-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyYUWNTSGBSLYLTG-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride (PubChem CID 119831786) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
PubChem CID119831786
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
SMILESCCN(CCNC(=O)c1cccc(N)c1)c1cccc(C)c1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-21(17-9-4-6-14(2)12-17)11-10-20-18(22)15-7-5-8-16(19)13-15;;/h4-9,12-13H,3,10-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyYUWNTSGBSLYLTG-UHFFFAOYSA-N
XLogP3.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 134061332
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831790
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride (CID 119831786) is 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride is CCN(CCNC(=O)c1cccc(N)c1)c1cccc(C)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride?
The InChIKey is YUWNTSGBSLYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-3-21(17-9-4-6-14(2)12-17)11-10-20-18(22)15-7-5-8-16(19)13-15;;/h4-9,12-13H,3,10-11,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride?
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).