N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide

C15H24N2O — CID 28755474

IUPACN-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)15(18)17(3)14-8-6-12(7-9-14)10-11-16/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyZWENUINAPMJEBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds6

About N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide

N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide (PubChem CID 28755474) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
PubChem CID28755474
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)15(18)17(3)14-8-6-12(7-9-14)10-11-16/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyZWENUINAPMJEBH-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamothioylphenyl)-2-ethyl-N-methylbutanamide
CID 62970484
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
methyl 2-[(N-methyl-4-propylanilino)methyl]butanoate
CID 115253064
N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
CID 144916183
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
CID 28755736
methyl-(4-propylphenyl)carbamic acid
CID 115170704
2-[3-[2-ethylbutanoyl(methyl)amino]phenyl]acetic acid
CID 28759868
4-[2-ethylhexanoyl(methyl)amino]benzoic acid
CID 104698018

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide (CID 28755474) is N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)c1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide?
The InChIKey is ZWENUINAPMJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(5-2)15(18)17(3)14-8-6-12(7-9-14)10-11-16/h6-9,13H,4-5,10-11,16H2,1-3H3.
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide?
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 28755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).