2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride

C15H27Cl2N3O — CID 119874299

IUPAC2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)CNc1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-13(2)18(3)11-10-16-15(19)12-17-14-8-6-5-7-9-14;;/h5-9,13,17H,4,10-12H2,1-3H3,(H,16,19);2*1H
InChIKeyNBLRYGDSAAUOKA-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.79
Rot. Bonds8

About 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride

2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride (PubChem CID 119874299) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
PubChem CID119874299
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)CNc1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-13(2)18(3)11-10-16-15(19)12-17-14-8-6-5-7-9-14;;/h5-9,13,17H,4,10-12H2,1-3H3,(H,16,19);2*1H
InChIKeyNBLRYGDSAAUOKA-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
CID 95167827

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride (CID 119874299) is 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride is CCC(C)N(C)CCNC(=O)CNc1ccccc1.Cl.Cl.
What is the InChIKey of 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride?
The InChIKey is NBLRYGDSAAUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-4-13(2)18(3)11-10-16-15(19)12-17-14-8-6-5-7-9-14;;/h5-9,13,17H,4,10-12H2,1-3H3,(H,16,19);2*1H.
What are the key properties of 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride?
2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119874299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).