2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide

C13H28N2O3 — CID 115753308

IUPAC2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
SMILESCCCCC(N)C(=O)NCCCCOCCOC
InChIInChI=1S/C13H28N2O3/c1-3-4-7-12(14)13(16)15-8-5-6-9-18-11-10-17-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyDYTWVBYUWFHKCB-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.06
Rot. Bonds12

About 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide

2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide (PubChem CID 115753308) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
PubChem CID115753308
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
SMILESCCCCC(N)C(=O)NCCCCOCCOC
InChIInChI=1S/C13H28N2O3/c1-3-4-7-12(14)13(16)15-8-5-6-9-18-11-10-17-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyDYTWVBYUWFHKCB-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
2-amino-N-hexylhexanamide
CID 60852762
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide?
The IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide (CID 115753308) is 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide.
What is the SMILES notation for 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide?
The canonical SMILES for 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide is CCCCC(N)C(=O)NCCCCOCCOC.
What is the InChIKey of 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide?
The InChIKey is DYTWVBYUWFHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-3-4-7-12(14)13(16)15-8-5-6-9-18-11-10-17-2/h12H,3-11,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide?
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide has a molecular weight of 260.38 g/mol, XLogP of 1.06, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide is sourced from PubChem (CID 115753308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).