2-amino-2-benzylhexanamide

C13H20N2O — CID 174812463

IUPAC2-amino-2-benzylhexanamide
SMILESCCCCC(N)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-2-3-9-13(15,12(14)16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10,15H2,1H3,(H2,14,16)
InChIKeyOWDFIQFLDIVJIV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-2-benzylhexanamide

2-amino-2-benzylhexanamide (PubChem CID 174812463) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-2-benzylhexanamide.

Molecular Properties

Compound Name2-amino-2-benzylhexanamide
PubChem CID174812463
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-2-benzylhexanamide
SMILESCCCCC(N)(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-2-3-9-13(15,12(14)16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10,15H2,1H3,(H2,14,16)
InChIKeyOWDFIQFLDIVJIV-UHFFFAOYSA-N
XLogP1.60
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-phenylethyl)heptanamide
CID 18682968
2-amino-2-benzylpentanoic acid
CID 24974249
2,2-diphenylhexanamide;hydrochloride
CID 142429226
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
2-amino-2-[(4-bromophenyl)methyl]hexanoic acid
CID 175669821
2-benzyl-2-(4-hydroxyphenyl)hexanamide
CID 70049047
2-benzyl-2-propylpropanediamide
CID 131715569
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
3-amino-3-benzylheptan-4-one;hydrochloride
CID 174586501
3-benzyl-3-decyltridecan-2-one
CID 21201320
2-benzyl-2-(hydroxymethoxy)nonanamide
CID 141035749
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-benzylhexanamide?
The IUPAC name of 2-amino-2-benzylhexanamide (CID 174812463) is 2-amino-2-benzylhexanamide.
What is the SMILES notation for 2-amino-2-benzylhexanamide?
The canonical SMILES for 2-amino-2-benzylhexanamide is CCCCC(N)(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-2-benzylhexanamide?
The InChIKey is OWDFIQFLDIVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-9-13(15,12(14)16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10,15H2,1H3,(H2,14,16).
What are the key properties of 2-amino-2-benzylhexanamide?
2-amino-2-benzylhexanamide has a molecular weight of 220.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzylhexanamide is sourced from PubChem (CID 174812463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).