3-butyl-N-[2-(dimethylamino)ethyl]octanamide

C16H34N2O — CID 88999210

IUPAC3-butyl-N-[2-(dimethylamino)ethyl]octanamide
SMILESCCCCCC(CCCC)CC(=O)NCCN(C)C
InChIInChI=1S/C16H34N2O/c1-5-7-9-11-15(10-8-6-2)14-16(19)17-12-13-18(3)4/h15H,5-14H2,1-4H3,(H,17,19)
InChIKeyXAVIXZTXHKWVHX-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.44
Rot. Bonds12

About 3-butyl-N-[2-(dimethylamino)ethyl]octanamide

3-butyl-N-[2-(dimethylamino)ethyl]octanamide (PubChem CID 88999210) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-butyl-N-[2-(dimethylamino)ethyl]octanamide.

Molecular Properties

Compound Name3-butyl-N-[2-(dimethylamino)ethyl]octanamide
PubChem CID88999210
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-butyl-N-[2-(dimethylamino)ethyl]octanamide
SMILESCCCCCC(CCCC)CC(=O)NCCN(C)C
InChIInChI=1S/C16H34N2O/c1-5-7-9-11-15(10-8-6-2)14-16(19)17-12-13-18(3)4/h15H,5-14H2,1-4H3,(H,17,19)
InChIKeyXAVIXZTXHKWVHX-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-butyloctanamide
CID 88999153
N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
CID 54060083
1-[2-(dimethylamino)ethyl]-3-hexadecan-8-ylurea
CID 129287958
3-butyl-N-propan-2-yloctanamide
CID 90867024
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
CID 4972250
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
CID 174256295
3-(3-aminopropyl)-N-[3-[4-[3-[3-(3-aminopropyl)tetradecanoylamino]propyl]piperazin-1-yl]propyl]tetradecanamide
CID 177309917
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-[2-(dimethylamino)ethyl]octanamide?
The IUPAC name of 3-butyl-N-[2-(dimethylamino)ethyl]octanamide (CID 88999210) is 3-butyl-N-[2-(dimethylamino)ethyl]octanamide.
What is the SMILES notation for 3-butyl-N-[2-(dimethylamino)ethyl]octanamide?
The canonical SMILES for 3-butyl-N-[2-(dimethylamino)ethyl]octanamide is CCCCCC(CCCC)CC(=O)NCCN(C)C.
What is the InChIKey of 3-butyl-N-[2-(dimethylamino)ethyl]octanamide?
The InChIKey is XAVIXZTXHKWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-9-11-15(10-8-6-2)14-16(19)17-12-13-18(3)4/h15H,5-14H2,1-4H3,(H,17,19).
What are the key properties of 3-butyl-N-[2-(dimethylamino)ethyl]octanamide?
3-butyl-N-[2-(dimethylamino)ethyl]octanamide has a molecular weight of 270.46 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-[2-(dimethylamino)ethyl]octanamide is sourced from PubChem (CID 88999210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).