N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide

C14H28N2O2 — CID 20759347

IUPACN-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-11(17)15-7-8-16-12(18)10-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyXBLANLNANHGTKT-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide

N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide (PubChem CID 20759347) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide
PubChem CID20759347
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-11(17)15-7-8-16-12(18)10-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyXBLANLNANHGTKT-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
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

(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
2-Amino-N,3,3-Trimethylbutanamide
CID 3496445
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide (CID 20759347) is N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide?
The InChIKey is XBLANLNANHGTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)9-11(17)15-7-8-16-12(18)10-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide?
N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutanoylamino)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 20759347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).