6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide

C16H32N2O2 — CID 134575982

IUPAC6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(C)(C)CCCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)18-14(20)16(6,7)10-8-9-11-17-13(19)15(3,4)5/h12H,8-11H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyKPEPZVWYWQNPJY-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds7

About 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide

6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide (PubChem CID 134575982) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
PubChem CID134575982
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)C(C)(C)CCCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)18-14(20)16(6,7)10-8-9-11-17-13(19)15(3,4)5/h12H,8-11H2,1-7H3,(H,17,19)(H,18,20)
InChIKeyKPEPZVWYWQNPJY-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
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

5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide
CID 155090343
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
CID 126680891
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide
CID 135302756
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide?
The IUPAC name of 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide (CID 134575982) is 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide?
The canonical SMILES for 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide is CC(C)NC(=O)C(C)(C)CCCCNC(=O)C(C)(C)C.
What is the InChIKey of 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide?
The InChIKey is KPEPZVWYWQNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)18-14(20)16(6,7)10-8-9-11-17-13(19)15(3,4)5/h12H,8-11H2,1-7H3,(H,17,19)(H,18,20).
What are the key properties of 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide?
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 134575982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).