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

C14H22ClN3O2 — CID 120609121

IUPACN-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(18)16-9-4-10-17-14(19)8-7-12-5-2-3-6-13(12)15;/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyJJHDRGJQHGBXSE-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.27
Rot. Bonds7

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

N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride (PubChem CID 120609121) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
PubChem CID120609121
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(18)16-9-4-10-17-14(19)8-7-12-5-2-3-6-13(12)15;/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyJJHDRGJQHGBXSE-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.27
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-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
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3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
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3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
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-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride (CID 120609121) is N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride is CC(=O)NCCCNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride?
The InChIKey is JJHDRGJQHGBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-11(18)16-9-4-10-17-14(19)8-7-12-5-2-3-6-13(12)15;/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride?
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120609121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).