N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride

C15H25ClN2O — CID 120885669

IUPACN-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCCC(C)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-13(2)15(18)17(12-10-16)11-9-14-7-5-4-6-8-14;/h4-8,13H,3,9-12,16H2,1-2H3;1H
InChIKeyZEQQUTVBPLTKGO-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.48
Rot. Bonds7

About N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride

N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 120885669) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID120885669
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCCC(C)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-13(2)15(18)17(12-10-16)11-9-14-7-5-4-6-8-14;/h4-8,13H,3,9-12,16H2,1-2H3;1H
InChIKeyZEQQUTVBPLTKGO-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride (CID 120885669) is N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride is CCC(C)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is ZEQQUTVBPLTKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-3-13(2)15(18)17(12-10-16)11-9-14-7-5-4-6-8-14;/h4-8,13H,3,9-12,16H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride?
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120885669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).