N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide

C17H28N2O — CID 106250793

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
SMILESCCC(CC)(CN)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2,12-18)13-19-15(20)16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20)
InChIKeyRKGLYRCYPZQYON-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide

N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide (PubChem CID 106250793) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
PubChem CID106250793
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
SMILESCCC(CC)(CN)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2,12-18)13-19-15(20)16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20)
InChIKeyRKGLYRCYPZQYON-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
CID 106251034
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119627567
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
CID 64539763

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide (CID 106250793) is N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide is CCC(CC)(CN)CNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide?
The InChIKey is RKGLYRCYPZQYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(6-2,12-18)13-19-15(20)16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106250793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).