3-amino-N-(4-propan-2-yloxybutyl)hexanamide

C13H28N2O2 — CID 106011504

IUPAC3-amino-N-(4-propan-2-yloxybutyl)hexanamide
SMILESCCCC(N)CC(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-4-7-12(14)10-13(16)15-8-5-6-9-17-11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyZCRLRAAMFZBHKO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.83
Rot. Bonds10

About 3-amino-N-(4-propan-2-yloxybutyl)hexanamide

3-amino-N-(4-propan-2-yloxybutyl)hexanamide (PubChem CID 106011504) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-N-(4-propan-2-yloxybutyl)hexanamide.

Molecular Properties

Compound Name3-amino-N-(4-propan-2-yloxybutyl)hexanamide
PubChem CID106011504
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-N-(4-propan-2-yloxybutyl)hexanamide
SMILESCCCC(N)CC(=O)NCCCCOC(C)C
InChIInChI=1S/C13H28N2O2/c1-4-7-12(14)10-13(16)15-8-5-6-9-17-11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyZCRLRAAMFZBHKO-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
CID 106011222
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-propan-2-yloxybutyl)hexanamide?
The IUPAC name of 3-amino-N-(4-propan-2-yloxybutyl)hexanamide (CID 106011504) is 3-amino-N-(4-propan-2-yloxybutyl)hexanamide.
What is the SMILES notation for 3-amino-N-(4-propan-2-yloxybutyl)hexanamide?
The canonical SMILES for 3-amino-N-(4-propan-2-yloxybutyl)hexanamide is CCCC(N)CC(=O)NCCCCOC(C)C.
What is the InChIKey of 3-amino-N-(4-propan-2-yloxybutyl)hexanamide?
The InChIKey is ZCRLRAAMFZBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-12(14)10-13(16)15-8-5-6-9-17-11(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(4-propan-2-yloxybutyl)hexanamide?
3-amino-N-(4-propan-2-yloxybutyl)hexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-propan-2-yloxybutyl)hexanamide is sourced from PubChem (CID 106011504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).