6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide

C11H23N3O2 — CID 43515188

IUPAC6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
SMILESCC(C)NC(=O)CNC(=O)CCCCCN
InChIInChI=1S/C11H23N3O2/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYNQIEUHFVDZUJR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.15
Rot. Bonds8

About 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide

6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide (PubChem CID 43515188) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
PubChem CID43515188
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
SMILESCC(C)NC(=O)CNC(=O)CCCCCN
InChIInChI=1S/C11H23N3O2/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYNQIEUHFVDZUJR-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide
CID 170609823
N,N'-di(propan-2-yl)decanediamide
CID 58997511
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide (CID 43515188) is 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide is CC(C)NC(=O)CNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide?
The InChIKey is YNQIEUHFVDZUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide?
6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide has a molecular weight of 229.32 g/mol, XLogP of 0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide is sourced from PubChem (CID 43515188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).