N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide

C17H34N2O2 — CID 166929446

IUPACN-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
SMILESCCCCCCC(C)(CCCC)C(=O)NCCNC(C)=O
InChIInChI=1S/C17H34N2O2/c1-5-7-9-10-12-17(4,11-8-6-2)16(21)19-14-13-18-15(3)20/h5-14H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyBEFZDVHNGDAZPE-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.41
Rot. Bonds12

About N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide

N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide (PubChem CID 166929446) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
PubChem CID166929446
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
SMILESCCCCCCC(C)(CCCC)C(=O)NCCNC(C)=O
InChIInChI=1S/C17H34N2O2/c1-5-7-9-10-12-17(4,11-8-6-2)16(21)19-14-13-18-15(3)20/h5-14H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyBEFZDVHNGDAZPE-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.41
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

2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
CID 129033928
2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
methyl 3-[(2-ethyl-2-methyloctanoyl)amino]propanoate
CID 135208354
N-(6-methyl-6-propylnonyl)acetamide
CID 138647362
2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
CID 157310048
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
CID 138744699
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide?
The IUPAC name of N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide (CID 166929446) is N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide is CCCCCCC(C)(CCCC)C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide?
The InChIKey is BEFZDVHNGDAZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-7-9-10-12-17(4,11-8-6-2)16(21)19-14-13-18-15(3)20/h5-14H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide?
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide has a molecular weight of 298.47 g/mol, XLogP of 3.41, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide is sourced from PubChem (CID 166929446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).