2-(1-acetamidobutan-2-yl)hexadecanamide

C22H44N2O2 — CID 87166621

IUPAC2-(1-acetamidobutan-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(CC)CNC(C)=O
InChIInChI=1S/C22H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(22(23)26)20(5-2)18-24-19(3)25/h20-21H,4-18H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyGBDKQAYPWDUEDU-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.34
Rot. Bonds18

About 2-(1-acetamidobutan-2-yl)hexadecanamide

2-(1-acetamidobutan-2-yl)hexadecanamide (PubChem CID 87166621) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-(1-acetamidobutan-2-yl)hexadecanamide.

Molecular Properties

Compound Name2-(1-acetamidobutan-2-yl)hexadecanamide
PubChem CID87166621
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name2-(1-acetamidobutan-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(CC)CNC(C)=O
InChIInChI=1S/C22H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(22(23)26)20(5-2)18-24-19(3)25/h20-21H,4-18H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyGBDKQAYPWDUEDU-UHFFFAOYSA-N
XLogP5.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.34
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-heptan-3-yloctadec-9-enamide
CID 173151997
2-(1-hydroxybutan-2-yl)octadec-9-enamide
CID 173264818
2-[(1S)-1-aminopropyl]decanamide
CID 89316918
N-(2-bromododecyl)acetamide
CID 87944717
3-methyl-2-tetradecylhenicosanamide
CID 175222412
2-(1-aminoethyl)hexadecanamide
CID 18355676
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
N-(2-bromoheptyl)acetamide
CID 174351305
2-ethyl-3-(fluoromethyl)octanamide
CID 173440200
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
2-(1-hydroxypropan-2-yl)octadec-9-enamide
CID 173264917
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetamidobutan-2-yl)hexadecanamide?
The IUPAC name of 2-(1-acetamidobutan-2-yl)hexadecanamide (CID 87166621) is 2-(1-acetamidobutan-2-yl)hexadecanamide.
What is the SMILES notation for 2-(1-acetamidobutan-2-yl)hexadecanamide?
The canonical SMILES for 2-(1-acetamidobutan-2-yl)hexadecanamide is CCCCCCCCCCCCCCC(C(N)=O)C(CC)CNC(C)=O.
What is the InChIKey of 2-(1-acetamidobutan-2-yl)hexadecanamide?
The InChIKey is GBDKQAYPWDUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(22(23)26)20(5-2)18-24-19(3)25/h20-21H,4-18H2,1-3H3,(H2,23,26)(H,24,25).
What are the key properties of 2-(1-acetamidobutan-2-yl)hexadecanamide?
2-(1-acetamidobutan-2-yl)hexadecanamide has a molecular weight of 368.61 g/mol, XLogP of 5.34, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetamidobutan-2-yl)hexadecanamide is sourced from PubChem (CID 87166621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).