N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide

C16H32N2O2 — CID 170384014

IUPACN-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
SMILESCCCCNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-8-11-18-14(20)16(5,6)10-9-12-17-13(19)15(2,3)4/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyWWIAXCFKLICTOC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds8

About N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide

N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide (PubChem CID 170384014) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
PubChem CID170384014
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
SMILESCCCCNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-8-11-18-14(20)16(5,6)10-9-12-17-13(19)15(2,3)4/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyWWIAXCFKLICTOC-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
CID 144530466
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372
N-ethyl-2,2-dimethylheptanamide
CID 168939290
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide
CID 150928409
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
CID 157310048

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide?
The IUPAC name of N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide (CID 170384014) is N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide.
What is the SMILES notation for N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide?
The canonical SMILES for N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide is CCCCNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide?
The InChIKey is WWIAXCFKLICTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-8-11-18-14(20)16(5,6)10-9-12-17-13(19)15(2,3)4/h7-12H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide?
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide is sourced from PubChem (CID 170384014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).