N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride

C13H20ClN3O2 — CID 120608123

IUPACN-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
SMILESCC(=O)NCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(17)15-8-9-16-13(18)7-6-11-4-2-3-5-12(11)14;/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyLRCAWVNKQMEXCZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.88
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride

N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride (PubChem CID 120608123) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
PubChem CID120608123
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
SMILESCC(=O)NCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(17)15-8-9-16-13(18)7-6-11-4-2-3-5-12(11)14;/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyLRCAWVNKQMEXCZ-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
CID 107329565
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 120612175
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride (CID 120608123) is N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride is CC(=O)NCCNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The InChIKey is LRCAWVNKQMEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-10(17)15-8-9-16-13(18)7-6-11-4-2-3-5-12(11)14;/h2-5H,6-9,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride?
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120608123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).