N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide

C14H28N2O2 — CID 155054535

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

About N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide

N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide (PubChem CID 155054535) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
PubChem CID155054535
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)8-7-11(17)15-9-10-16-12(18)14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyCXJQRMNIZLVNPE-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

N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide
CID 135302756
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide (CID 155054535) is N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide?
The InChIKey is CXJQRMNIZLVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)8-7-11(17)15-9-10-16-12(18)14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide?
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide 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-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 155054535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).