3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride

C18H25Cl2N3O — CID 120612174

IUPAC3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
SMILESCN(CCNC(=O)CCc1ccccc1N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19;;/h2-10H,11-14,19H2,1H3,(H,20,22);2*1H
InChIKeyBEQNWHYSQBCDSA-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.30
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride (PubChem CID 120612174) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
PubChem CID120612174
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
SMILESCN(CCNC(=O)CCc1ccccc1N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19;;/h2-10H,11-14,19H2,1H3,(H,20,22);2*1H
InChIKeyBEQNWHYSQBCDSA-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.30
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

3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
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N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
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CID 109016239
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
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6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
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CID 94476681

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride (CID 120612174) is 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride is CN(CCNC(=O)CCc1ccccc1N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The InChIKey is BEQNWHYSQBCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19;;/h2-10H,11-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).