5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide

C13H26N2O2 — CID 134364568

IUPAC5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
SMILESCNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)15-9-7-8-13(4,5)11(17)14-6/h7-9H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyFPOWANSSOAMVSF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide

5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide (PubChem CID 134364568) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
PubChem CID134364568
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
SMILESCNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)15-9-7-8-13(4,5)11(17)14-6/h7-9H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyFPOWANSSOAMVSF-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
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-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
N,2,2-trimethylhexanamide
CID 87705334
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
N,2,2-trimethyloctadecanamide
CID 158817445
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
2,2-dimethyl-N-[3-(3-methylhexan-3-ylamino)propyl]propanamide
CID 144530466
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide (CID 134364568) is 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide is CNC(=O)C(C)(C)CCCNC(=O)C(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide?
The InChIKey is FPOWANSSOAMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)10(16)15-9-7-8-13(4,5)11(17)14-6/h7-9H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide?
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide is sourced from PubChem (CID 134364568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).