N-[4-(aminomethyl)phenyl]-N-ethylhexanamide

C15H24N2O — CID 43275627

IUPACN-[4-(aminomethyl)phenyl]-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-5-6-7-15(18)17(4-2)14-10-8-13(12-16)9-11-14/h8-11H,3-7,12,16H2,1-2H3
InChIKeySGBQMWWDVSKXLV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.08
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-N-ethylhexanamide

N-[4-(aminomethyl)phenyl]-N-ethylhexanamide (PubChem CID 43275627) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethylhexanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethylhexanamide
PubChem CID43275627
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-3-5-6-7-15(18)17(4-2)14-10-8-13(12-16)9-11-14/h8-11H,3-7,12,16H2,1-2H3
InChIKeySGBQMWWDVSKXLV-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
heptyl 6-(N-ethylanilino)-6-oxohexanoate
CID 91711017
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
1-[4-(aminomethyl)phenyl]undecan-1-one
CID 116548206
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylhexanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylhexanamide (CID 43275627) is N-[4-(aminomethyl)phenyl]-N-ethylhexanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethylhexanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethylhexanamide is CCCCCC(=O)N(CC)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethylhexanamide?
The InChIKey is SGBQMWWDVSKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-6-7-15(18)17(4-2)14-10-8-13(12-16)9-11-14/h8-11H,3-7,12,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethylhexanamide?
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethylhexanamide is sourced from PubChem (CID 43275627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).