3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride

C14H22ClN3O2 — CID 120609267

IUPAC3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-17(2)14(19)9-10-16-13(18)8-7-11-5-3-4-6-12(11)15;/h3-6H,7-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFMLUSCYJZHONBE-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.22
Rot. Bonds6

About 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride (PubChem CID 120609267) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
PubChem CID120609267
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCN(C)C(=O)CCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-17(2)14(19)9-10-16-13(18)8-7-11-5-3-4-6-12(11)15;/h3-6H,7-10,15H2,1-2H3,(H,16,18);1H
InChIKeyFMLUSCYJZHONBE-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.22
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-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
CID 120610929

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride (CID 120609267) is 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride is CN(C)C(=O)CCNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride?
The InChIKey is FMLUSCYJZHONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-17(2)14(19)9-10-16-13(18)8-7-11-5-3-4-6-12(11)15;/h3-6H,7-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride is sourced from PubChem (CID 120609267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).