N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride

C12H21Cl2N3O2 — CID 119405623

IUPACN-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
SMILESCOc1ccccc1NCC(=O)NCCCN.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-17-11-6-3-2-5-10(11)15-9-12(16)14-8-4-7-13;;/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16);2*1H
InChIKeyBOQLJARIYDDLRD-UHFFFAOYSA-N
MW310.22 g/mol
LogP1.42
Rot. Bonds7

About N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride

N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride (PubChem CID 119405623) has the molecular formula C12H21Cl2N3O2 and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
PubChem CID119405623
Molecular FormulaC12H21Cl2N3O2
Molecular Weight310.22 g/mol
Exact Mass309.10
IUPAC NameN-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
SMILESCOc1ccccc1NCC(=O)NCCCN.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-17-11-6-3-2-5-10(11)15-9-12(16)14-8-4-7-13;;/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16);2*1H
InChIKeyBOQLJARIYDDLRD-UHFFFAOYSA-N
XLogP1.42
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119382686
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide
CID 119382687
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride (CID 119405623) is N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride is COc1ccccc1NCC(=O)NCCCN.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride?
The InChIKey is BOQLJARIYDDLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.2ClH/c1-17-11-6-3-2-5-10(11)15-9-12(16)14-8-4-7-13;;/h2-3,5-6,15H,4,7-9,13H2,1H3,(H,14,16);2*1H.
What are the key properties of N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride?
N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride has a molecular weight of 310.22 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride is sourced from PubChem (CID 119405623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).