N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide

C11H22N2O2 — CID 141198616

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
SMILESCCCCCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-9(14)13-8-11(2,3)10(12)15/h4-8H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyHSNUCYBAHZQRNJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.19
Rot. Bonds7

About N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide (PubChem CID 141198616) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
PubChem CID141198616
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
SMILESCCCCCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-9(14)13-8-11(2,3)10(12)15/h4-8H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyHSNUCYBAHZQRNJ-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
N-ethyloctadecanamide;octadecanamide
CID 159879248
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
N-carbamoyloctanamide
CID 24740663

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide (CID 141198616) is N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide is CCCCCC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide?
The InChIKey is HSNUCYBAHZQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-6-7-9(14)13-8-11(2,3)10(12)15/h4-8H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide has a molecular weight of 214.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide is sourced from PubChem (CID 141198616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).